Geometry & MOs

Info

ID:	110513
PubChem CID:	50328349
Reduced:	O5N6C27H34 (1)
Stoich.:	A5B6C27D34 (1)
Weight, g/mol:	542.204446
ΔH_f, kcal/mol:	-201.43
Dipole, Da:	5.6
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-acetamido-2-chloroanilino)-2-oxoethyl]-1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N)NC(=O)C

DOS

IR

Vibrations