Geometry & MOs

Info

ID:	131688
PubChem CID:	51245277
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	336.056008
ΔH_f, kcal/mol:	31.88
Dipole, Da:	7.56
IP(EA), eV:	-9.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-cyanophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations