Geometry & MOs

Info

ID:	187000
PubChem CID:	77514305
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	435.110021
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	4.98
IP(EA), eV:	-8.79(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-[ethoxycarbonyl(ethyl)sulfamoyl]-4-oxo-3,9a-dihydropyrrolo[2,3-c]quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OC2CCCN(C2)C)NC(=O)C3=CC4=NC5=CC=CC=C5C(=O)C4C=C3

DOS

IR

Vibrations