Geometry & MOs

Info

ID:	37704
PubChem CID:	8023450
Reduced:	NSO5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	367.083602
ΔH_f, kcal/mol:	-164.6
Dipole, Da:	5.97
IP(EA), eV:	-8.35(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4-cyanophenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)O[C@@H]3CCOC3=O

DOS

IR

Vibrations