Geometry & MOs

Info

ID:	86483
PubChem CID:	49886045
Reduced:	O3S3N5C21H25 (1)
Stoich.:	A3B3C5D21E25 (1)
Weight, g/mol:	458.144633
ΔH_f, kcal/mol:	-35.12
Dipole, Da:	7.5
IP(EA), eV:	-8.92(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=NC(=CS2)CC(=O)OCC)CSC3=CC=CC=C3

DOS

IR

Vibrations