Geometry & MOs

Info

ID:	163041
PubChem CID:	57581457
Reduced:	SN2O5H28C30 (1)
Stoich.:	AB2C5D28E30 (1)
Weight, g/mol:	498.215472
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	4.31
IP(EA), eV:	-9.11(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-diethoxyphenyl)-N-[4-(3-methoxyphenyl)quinolin-2-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=C(C=C1)C(=O)CCC(=O)NC2=NC(=C(S2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations