Geometry & MOs

Info

ID:	100216
PubChem CID:	50059207
Reduced:	N5O6C32H37 (1)
Stoich.:	A5B6C32D37 (1)
Weight, g/mol:	569.263819
ΔH_f, kcal/mol:	-191.2
Dipole, Da:	3.74
IP(EA), eV:	-8.09(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-acetylanilino)-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations