Geometry & MOs

Info

ID:	423765
PubChem CID:	135120172
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	3.89
IP(EA), eV:	-8.45(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-(6-methylquinolin-8-yl)sulfonyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3

DOS

IR

Vibrations