Geometry & MOs

Info

ID:	130007
PubChem CID:	51074586
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	341.039417
ΔH_f, kcal/mol:	-2.1
Dipole, Da:	5.54
IP(EA), eV:	-9.04(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyano-1,2,4-triazol-4-yl)-N-[2-(difluoromethylsulfonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC2CCN(CC2)CC3=NN=C(O3)C

DOS

IR

Vibrations