Geometry & MOs

Info

ID:	308017
PubChem CID:	125311815
Reduced:	SO2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	439.129884
ΔH_f, kcal/mol:	39.23
Dipole, Da:	5.66
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-[(2S)-6-chloro-2-methyl-4-oxo-2,3-dihydroquinolin-1-yl]acetyl]amino]-3-(2H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=N[C@@H](SC1)NC(=O)CCC2=NC(=NO2)C3=CC4=C(CC=N4)C=C3

DOS

IR

Vibrations