Geometry & MOs

Info

ID:	79603
PubChem CID:	49829692
Reduced:	N3O5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	422.080013
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	11.92
IP(EA), eV:	-6.29(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-[(2-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C[NH+](CC1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)OC)O)CC3=NOC=C3

DOS

IR

Vibrations