Geometry & MOs

Info

ID:	435903
PubChem CID:	135192729
Reduced:	PS2N8O8C28H45 (1)
Stoich.:	AB2C8D8E28F45 (1)
Weight, g/mol:	700.259025
ΔH_f, kcal/mol:	-302.06
Dipole, Da:	13.42
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(4S)-4-[[di(propan-2-yl)amino]-(prop-2-enylamino)oxyphosphanyl]oxy-5-methyl-2-[6-(2-methylpropanoylamino)purin-9-yl]oxolan-3-yl] 1,1-dioxo-1,4-thiazinane-4-carbothioate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1[C@@H](C(C(O1)N2C=NC3=C2NC(=NC3=O)NC(=O)C(C)C)OC(=S)N4CCS(=O)(=O)CC4)OP(N(C(C)C)C(C)C)ONCC=C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1[C@@H](C(C(O1)N2C=NC3=C2NC(=NC3=O)NC(=O)C(C)C)OC(=S)N4CCS(=O)(=O)CC4)OP(N(C(C)C)C(C)C)ONCC=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):