Geometry & MOs

Info

ID:	37924
PubChem CID:	8025561
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	299.101839
ΔH_f, kcal/mol:	-49.85
Dipole, Da:	3.91
IP(EA), eV:	-9.53(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CN([C@H]1CCS(=O)(=O)C1)C(=O)CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations