Geometry & MOs

Info

ID:	95287
PubChem CID:	50007809
Reduced:	N5O5C29H37 (1)
Stoich.:	A5B5C29D37 (1)
Weight, g/mol:	541.268905
ΔH_f, kcal/mol:	-184.01
Dipole, Da:	7.73
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzamido-3-methylphenyl)-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4

DOS

IR

Vibrations