Geometry & MOs

Info

ID:	195210
PubChem CID:	78655786
Reduced:	ClFSN2O4H14C18 (1)
Stoich.:	ABCD2E4F14G18 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	-143.88
Dipole, Da:	3.14
IP(EA), eV:	-9.07(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations