Geometry & MOs

Info

ID:	172859
PubChem CID:	75561074
Reduced:	ClSO2N3C25H28 (1)
Stoich.:	ABC2D3E25F28 (1)
Weight, g/mol:	427.121818
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	2.62
IP(EA), eV:	-8.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC4=C(C=C3Cl)N(C(CC4C)(C)C)C)S2

DOS

IR

Vibrations