Geometry & MOs

Info

ID:	86486
PubChem CID:	49886059
Reduced:	O3S3N5C22H27 (1)
Stoich.:	A3B3C5D22E27 (1)
Weight, g/mol:	446.100181
ΔH_f, kcal/mol:	-38.04
Dipole, Da:	12.1
IP(EA), eV:	-9.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C)C)CSC3=CC=CC=C3

DOS

IR

Vibrations