Geometry & MOs

Info

ID:

97627

PubChem CID:

50033154

Reduced:

FO5N6C44H49 (1)

Stoich.:

AB5C6D44E49 (1)

Weight, g/mol:

664.282089

ΔHf, kcal/mol:

-201.39

Dipole, Da:

7.91

IP(EA), eV:

 -8.71(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-acetamido-3-methoxyanilino)-3-oxopropyl]-1-[2-[5-[(2,5-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)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NCC6=CC=C(C=C6)F)C)C

DOS

IR

Vibrations