Geometry & MOs

Info

ID:

93392

PubChem CID:

49994743

Reduced:

F2O4N5C32H41 (1)

Stoich.:

A2B4C5D32E41 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-268.41

Dipole, Da:

7.88

IP(EA), eV:

 -8.86(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations