Geometry & MOs

Info

ID:	33267
PubChem CID:	7885738
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	418.129549
ΔH_f, kcal/mol:	-176.94
Dipole, Da:	3.59
IP(EA), eV:	-8.87(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloroanilino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations