Geometry & MOs

Info

ID:	196467
PubChem CID:	78835113
Reduced:	FO3N5C15H16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	407.068609
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	1.82
IP(EA), eV:	-9.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(difluoromethylsulfanyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CNC(=O)NCC2=CC=C(C=C2)F

DOS

IR

Vibrations