Geometry & MOs

Info

ID:

107475

PubChem CID:

50204638

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

660.307161

ΔHf, kcal/mol:

-237.36

Dipole, Da:

6.66

IP(EA), eV:

 -8.31(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-methoxyanilino)-3-oxopropyl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations