Geometry & MOs

Info

ID:	1190
PubChem CID:	3959
Reduced:	Cl2N2O4C22H31 (1)
Stoich.:	A2B2C4D22E31 (1)
Weight, g/mol:	457.166088
ΔH_f, kcal/mol:	-161.04
Dipole, Da:	6.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776907
Charge, e:	-1

Chem-info

IUPAC name:

4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoate

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)C(=O)C(CCC(=O)[O-])NC(=O)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations