Geometry & MOs

Info

ID:	100335
PubChem CID:	50060214
Reduced:	N5O5C36H43 (1)
Stoich.:	A5B5C36D43 (1)
Weight, g/mol:	541.268905
ΔH_f, kcal/mol:	-165.25
Dipole, Da:	5.75
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-methylphenyl)-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)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)OC

DOS

IR

Vibrations