Geometry & MOs

Info

ID:	436514
PubChem CID:	135204792
Reduced:	FO3N9C29H32 (1)
Stoich.:	AB3C9D29E32 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	9.98
IP(EA), eV:	-8.26(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-cyanophenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2-oxobenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CCCN1C(=O)CC#N)NC2=NNC3=NC=CC(=C32)C4=CC(=C(C=C4)CNC(=O)C5=NOC(=N5)C(C)(C)C)F

DOS

IR

Vibrations