Geometry & MOs

Info

ID:	440252
PubChem CID:	135230183
Reduced:	OSN8H18C19 (1)
Stoich.:	ABC8D18E19 (1)
Weight, g/mol:	343.121529
ΔH_f, kcal/mol:	149.63
Dipole, Da:	8.98
IP(EA), eV:	-9.07(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC(=CC=C4)NC(=O)C5CC5

DOS

IR

Vibrations