Geometry & MOs

Info

ID:	187464
PubChem CID:	77574370
Reduced:	SCl2N2O6C27H30 (1)
Stoich.:	AB2C2D6E27F30 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	-236.51
Dipole, Da:	12.6
IP(EA), eV:	-8.56(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[methyl-[(4-oxo-5,9b-dihydropyrrolo[2,3-c]quinolin-8-yl)sulfonyl]amino]acetate

Drug info:

PubChemData

Smile

C1CS(CC1CC(=O)N2CCC(=CC2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl)(O)O

DOS

IR

Vibrations