Geometry & MOs

Info

ID:

105030

PubChem CID:

50106189

Reduced:

N5O5C28H37 (1)

Stoich.:

A5B5C28D37 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-182.47

Dipole, Da:

5.35

IP(EA), eV:

 -8.75(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations