Geometry & MOs

Info

ID:	324126
PubChem CID:	126676971
Reduced:	BrClPN4O10C24H31 (1)
Stoich.:	ABCD4E10F24G31 (1)
Weight, g/mol:	515.122429
ΔH_f, kcal/mol:	-471.91
Dipole, Da:	5.72
IP(EA), eV:	-9.67(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2R)-2-[[[(2S,4S,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

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

CC(C)OC(=O)C(C)NP(=O)(OCC1[C@H]([C@@](C(O1)N2C=CC(=O)NC2=O)(Cl)Br)OC(=O)C(C)N)OC3=CC=CC=C3

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

CC(C)OC(=O)C(C)NP(=O)(OCC1[C@H]([C@@](C(O1)N2C=CC(=O)NC2=O)(Cl)Br)OC(=O)C(C)N)OC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):