Geometry & MOs

Info

ID:	61862
PubChem CID:	26714891
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	455.242021
ΔH_f, kcal/mol:	-187.78
Dipole, Da:	8.28
IP(EA), eV:	-9.26(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethoxy-N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC[C@H]3CCCO3)C

DOS

IR

Vibrations