Geometry & MOs

Info

ID:

105175

PubChem CID:

50106551

Reduced:

F2O5N6C32H34 (1)

Stoich.:

A2B5C6D32E34 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-253.8

Dipole, Da:

7.47

IP(EA), eV:

 -8.75(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[3-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4F)F

DOS

IR

Vibrations