Geometry & MOs

Info

ID:

107008

PubChem CID:

50185409

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-225.71

Dipole, Da:

3.83

IP(EA), eV:

 -8.88(-0.66)

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-4-(2-methylpropylcarbamoyl)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=CC(=CC=C4)NC(=O)C5=CC=C(C=C5)F)C

DOS

IR

Vibrations