Geometry & MOs

Info

ID:	61593
PubChem CID:	26710829
Reduced:	ClO2S2N3H18C20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	487.210721
ΔH_f, kcal/mol:	-15.4
Dipole, Da:	5.19
IP(EA), eV:	-8.88(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-ethoxyanilino)-2-oxoethoxy]-N-[2-(1H-indol-3-yl)ethyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)[C@@H]3CC(=O)N(C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations