Geometry & MOs

Info

ID:	95290
PubChem CID:	50007860
Reduced:	O4N5C28H37 (1)
Stoich.:	A4B5C28D37 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-163.18
Dipole, Da:	9.55
IP(EA), eV:	-8.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(2-methylpropylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations