Geometry & MOs

Info

ID:	128767
PubChem CID:	51057402
Reduced:	NSO3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	346.113984
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	6.88
IP(EA), eV:	-8.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-oxo-4-(4-phenylthiophen-2-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CS3)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations