Geometry & MOs

Info

ID:	105301
PubChem CID:	50106863
Reduced:	ClO5N6C32H41 (1)
Stoich.:	AB5C6D32E41 (1)
Weight, g/mol:	522.259068
ΔH_f, kcal/mol:	-222.98
Dipole, Da:	9.01
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-acetamidoanilino)-3-oxopropyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4CCCCC4

DOS

IR

Vibrations