Geometry & MOs

Info

ID:	440251
PubChem CID:	135230182
Reduced:	S3O4N14C30H30 (1)
Stoich.:	A3B4C14D30E30 (1)
Weight, g/mol:	406.132428
ΔH_f, kcal/mol:	143.85
Dipole, Da:	11.16
IP(EA), eV:	-9.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(CC1=CC2=C(C=C1)N(C(=N2)SCC(=O)OC)C3=NN=NN3C)OC(=O)NC4=NC(=CS4)CSC5=NC6=CC=CC=C6N5C7=NN=NN7C

DOS

IR

Vibrations