Geometry & MOs

Info

ID:	403322
PubChem CID:	135059736
Reduced:	ClSN2O2H13C18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	512.169585
ΔH_f, kcal/mol:	-1.91
Dipole, Da:	9.23
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl (1Z)-1-(7-acetamido-5,8-dioxo-1H-quinolin-2-ylidene)-6-oxo-2H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=CC(=NC=C42)Cl

DOS

IR

Vibrations