Geometry & MOs

Info

ID:	302931
PubChem CID:	124403704
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	513.208613
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	4.13
IP(EA), eV:	-8.84(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-[(3aS,4R,9bR)-4-(2,3-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethylideneamino]-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

CCN(CC)[C@H](C)CNC(=O)C1=CC=CC=C1

DOS

IR

Vibrations