Geometry & MOs

Info

ID:	108632
PubChem CID:	50252203
Reduced:	O4N5C34H41 (1)
Stoich.:	A4B5C34D41 (1)
Weight, g/mol:	541.268905
ΔH_f, kcal/mol:	-125.56
Dipole, Da:	12.14
IP(EA), eV:	-8.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC(=C1NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)C)C

DOS

IR

Vibrations