Geometry & MOs

Info

ID:	36251
PubChem CID:	7982476
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	402.091725
ΔH_f, kcal/mol:	1.08
Dipole, Da:	9.32
IP(EA), eV:	-8.69(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(C)C(=O)CSC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations