Geometry & MOs

Info

ID:	143063
PubChem CID:	53141691
Reduced:	SN2O7H16C20 (1)
Stoich.:	AB2C7D16E20 (1)
Weight, g/mol:	493.058708
ΔH_f, kcal/mol:	-234.27
Dipole, Da:	5.97
IP(EA), eV:	-9.15(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[8-(3-methylphenyl)sulfanyl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)C(=C(N2)O)C(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)C(=O)C

DOS

IR

Vibrations