Geometry & MOs

Info

ID:	131687
PubChem CID:	51244607
Reduced:	FO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	7.28
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-phenyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)F)N(C)CC2=CC=C(C=C2)C(=O)NC

DOS

IR

Vibrations