Geometry & MOs

Info

ID:	440314
PubChem CID:	135230261
Reduced:	ClSN4H7C11 (1)
Stoich.:	ABC4D7E11 (1)
Weight, g/mol:	304.074245
ΔH_f, kcal/mol:	94.87
Dipole, Da:	4.65
IP(EA), eV:	-8.59(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylacetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=S)N2C3=NC=NC=C3Cl

DOS

IR

Vibrations