Geometry & MOs

Info

ID:	110512
PubChem CID:	50328348
Reduced:	ClO5N6C29H37 (1)
Stoich.:	AB5C6D29E37 (1)
Weight, g/mol:	522.259068
ΔH_f, kcal/mol:	-211.62
Dipole, Da:	9.03
IP(EA), eV:	-9.05(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)N)C(=O)NC(C)C

DOS

IR

Vibrations