Geometry & MOs

Info

ID:

108161

PubChem CID:

50232701

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-242.06

Dipole, Da:

3.15

IP(EA), eV:

 -8.89(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations