Geometry & MOs

Info

ID:

112047

PubChem CID:

50392983

Reduced:

F2O4N5C34H45 (1)

Stoich.:

A2B4C5D34E45 (1)

Weight, g/mol:

625.343961

ΔHf, kcal/mol:

-274.18

Dipole, Da:

6.67

IP(EA), eV:

 -9.12(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,6-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations