Geometry & MOs

Info

ID:	336285
PubChem CID:	127255292
Reduced:	SN3O7C23H23 (1)
Stoich.:	AB3C7D23E23 (1)
Weight, g/mol:	375.133139
ΔH_f, kcal/mol:	-226.56
Dipole, Da:	8.73
IP(EA), eV:	-9.08(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-(4-oxo-3-propan-2-yl-1,2,3-benzotriazin-6-yl)-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5CCS(=O)(=O)C5)OC

DOS

IR

Vibrations