Geometry & MOs

Info

ID:	334492
PubChem CID:	127253167
Reduced:	N3O7C32H43 (1)
Stoich.:	A3B7C32D43 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-250.22
Dipole, Da:	4.69
IP(EA), eV:	-8.25(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCC1CCCO1)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations