Geometry & MOs

Info

ID:

107347

PubChem CID:

50199466

Reduced:

F3O5N6C41H43 (1)

Stoich.:

A3B5C6D41E43 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-288.94

Dipole, Da:

11.01

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)C)F

DOS

IR

Vibrations