Geometry & MOs

Info

ID:

114081

PubChem CID:

50470846

Reduced:

O5N6C44H52 (1)

Stoich.:

A5B6C44D52 (1)

Weight, g/mol:

634.271525

ΔHf, kcal/mol:

-178.84

Dipole, Da:

7.41

IP(EA), eV:

 -8.26(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamido-3-methylanilino)-2-oxoethyl]-1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations