Geometry & MOs

Info

ID:

97752

PubChem CID:

50034403

Reduced:

O5N6C33H38 (1)

Stoich.:

A5B6C33D38 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-160.46

Dipole, Da:

7.58

IP(EA), eV:

 -8.81(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC

DOS

IR

Vibrations