Geometry & MOs

Info

ID:	60924
PubChem CID:	26703230
Reduced:	SF2N4O5H16C23 (1)
Stoich.:	AB2C4D5E16F23 (1)
Weight, g/mol:	435.063523
ΔH_f, kcal/mol:	-116.8
Dipole, Da:	6.45
IP(EA), eV:	-9.08(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(N2CC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])SC(F)F

DOS

IR

Vibrations