Geometry & MOs

Info

ID:

113203

PubChem CID:

50434605

Reduced:

F2O5N6C39H48 (1)

Stoich.:

A2B5C6D39E48 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-279.21

Dipole, Da:

3.32

IP(EA), eV:

 -8.88(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-6-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations