Geometry & MOs

Info

ID:

93361

PubChem CID:

49994048

Reduced:

O4N5C37H51 (1)

Stoich.:

A4B5C37D51 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-188.81

Dipole, Da:

3.4

IP(EA), eV:

 -8.89(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2,6-difluorophenyl)carbamoyl]phenyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations