Geometry & MOs

Info

ID:	41528
PubChem CID:	8146151
Reduced:	SO2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	306.072845
ΔH_f, kcal/mol:	-8.47
Dipole, Da:	5.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.960048
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=S)N3C=CC=CC3=N2

DOS

IR

Vibrations