Geometry & MOs

Info

ID:	366082
PubChem CID:	127319415
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	350.104876
ΔH_f, kcal/mol:	-121.28
Dipole, Da:	7.21
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CCN2C3=CC=CC=C3C(=O)C=N2

DOS

IR

Vibrations