Geometry & MOs

Info

ID:

108815

PubChem CID:

50260271

Reduced:

F3O5N6C41H43 (1)

Stoich.:

A3B5C6D41E43 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-295.31

Dipole, Da:

2.86

IP(EA), eV:

 -8.73(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations