Geometry & MOs

Info

ID:	120587
PubChem CID:	50735991
Reduced:	ClO4N5C33H38 (1)
Stoich.:	AB4C5D33E38 (1)
Weight, g/mol:	584.274718
ΔH_f, kcal/mol:	-139.08
Dipole, Da:	2.09
IP(EA), eV:	-8.44(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-benzamidoanilino)-3-oxopropyl]-1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)C)Cl

DOS

IR

Vibrations