Geometry & MOs

Info

ID:	178114
PubChem CID:	76280524
Reduced:	SN3O4H21C25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	488.092119
ΔH_f, kcal/mol:	-51.89
Dipole, Da:	4.18
IP(EA), eV:	-9.31(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C2CCC3=CC=CC=C23)S(=O)(=O)C4=CC5=NC(=O)C(=O)N=C5C=C4

DOS

IR

Vibrations