Geometry & MOs

Info

ID:	100217
PubChem CID:	50059209
Reduced:	N5O5C32H35 (1)
Stoich.:	A5B5C32D35 (1)
Weight, g/mol:	555.284555
ΔH_f, kcal/mol:	-146.39
Dipole, Da:	9.1
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dimethylanilino)-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=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations