Geometry & MOs

Info

ID:	219079
PubChem CID:	85090455
Reduced:	ClNSSiO4C28H38 (1)
Stoich.:	ABCDE4F28G38 (1)
Weight, g/mol:	548.205319
ΔH_f, kcal/mol:	-185.52
Dipole, Da:	4.09
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[4-(6-formamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylsulfanyl]cyclopent-2-en-1-yl]oxycarbamate

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

CCOC(=O)C=CC(CO[Si](C)(C)C(C)(C)C)N(CC1=CC=CC=C1)C(=O)C(SC2=CC=CC=C2)Cl

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

CCOC(=O)C=CC(CO[Si](C)(C)C(C)(C)C)N(CC1=CC=CC=C1)C(=O)C(SC2=CC=CC=C2)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):