Geometry & MOs

Info

ID:	188300
PubChem CID:	77695451
Reduced:	SN2O3C27H32 (1)
Stoich.:	AB2C3D27E32 (1)
Weight, g/mol:	451.199488
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	8.82
IP(EA), eV:	-9.19(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-[(4-methoxyphenyl)methoxycarbonyl]-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)CC#CC2CCC3C(C2)CC(C(=O)N3)CC4=CC=CC=C4

DOS

IR

Vibrations