Geometry & MOs

Info

ID:	33265
PubChem CID:	7885717
Reduced:	ClN2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-183.14
Dipole, Da:	4.79
IP(EA), eV:	-9.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2Cl

DOS

IR

Vibrations