Geometry & MOs

Info

ID:

97608

PubChem CID:

50033033

Reduced:

O5N6C36H44 (1)

Stoich.:

A5B6C36D44 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-178.25

Dipole, Da:

4.46

IP(EA), eV:

 -8.34(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations