Geometry & MOs

Info

ID:	68364
PubChem CID:	46508266
Reduced:	ClN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	336.08116
ΔH_f, kcal/mol:	-155.87
Dipole, Da:	3.47
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)CC(C2=CC=CC=C2)NC(=O)N)C

DOS

IR

Vibrations