Geometry & MOs

Info

ID:	191977
PubChem CID:	78208523
Reduced:	SO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	1.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.881491
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-phenyl-2-(tetrazolidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC[N+]1=C(N=C2C1C(=O)N(C(=O)N2C)C)SCCC3=CC=CC=C3

DOS

IR

Vibrations