Geometry & MOs

Info

ID:	37923
PubChem CID:	8025559
Reduced:	SO3N4C13H16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	308.094312
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	4.66
IP(EA), eV:	-9.59(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations