Geometry & MOs

Info

ID:	149175
PubChem CID:	53788847
Reduced:	ClNO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	590.292677
ΔH_f, kcal/mol:	-61.52
Dipole, Da:	5.88
IP(EA), eV:	-9.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-6-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl]-4-ethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CON=C(C1=CC=CC=C1Cl)C(=O)O

DOS

IR

Vibrations