Geometry & MOs

Info

ID:	36647
PubChem CID:	8010289
Reduced:	N2S2O5C18H18 (1)
Stoich.:	A2B2C5D18E18 (1)
Weight, g/mol:	313.080888
ΔH_f, kcal/mol:	-125.06
Dipole, Da:	6.53
IP(EA), eV:	-9.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)[C@H](C#N)C2=NC(=CS2)C

DOS

IR

Vibrations