Geometry & MOs

Info

ID:

115510

PubChem CID:

50525427

Reduced:

Cl2O4N5C28H35 (1)

Stoich.:

A2B4C5D28E35 (1)

Weight, g/mol:

726.297739

ΔHf, kcal/mol:

-171.09

Dipole, Da:

4.86

IP(EA), eV:

 -8.88(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-[(2-methoxybenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C

DOS

IR

Vibrations