Geometry & MOs

Info

ID:

107032

PubChem CID:

50186019

Reduced:

ClF3O4N5C32H39 (1)

Stoich.:

AB3C4D5E32F39 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-335.27

Dipole, Da:

2.05

IP(EA), eV:

 -9.28(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations