Geometry & MOs

Info

ID:

102703

PubChem CID:

50069096

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-224.33

Dipole, Da:

6.8

IP(EA), eV:

 -9.2(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations