Geometry & MOs

Info

ID:	192134
PubChem CID:	78233115
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	484.158742
ΔH_f, kcal/mol:	-98.29
Dipole, Da:	6.83
IP(EA), eV:	-9.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(5,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(C2CC(C(=O)NC2C1)CN(CC3=CC=CO3)C(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations