Geometry & MOs

Info

ID:	304297
PubChem CID:	124504624
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	357.105959
ΔH_f, kcal/mol:	35.89
Dipole, Da:	1.07
IP(EA), eV:	-8.93(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-methyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)N2C[C@H](CC3=CC=CC=C32)N4C=CC=N4

DOS

IR

Vibrations