Geometry & MOs

Info

ID:

120619

PubChem CID:

50737172

Reduced:

Cl2O4N5C27H33 (1)

Stoich.:

A2B4C5D27E33 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-163.92

Dipole, Da:

3.27

IP(EA), eV:

 -9.06(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(3-fluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations