Geometry & MOs

Info

ID:

109060

PubChem CID:

50271005

Reduced:

FN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-265.36

Dipole, Da:

10.15

IP(EA), eV:

 -8.74(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclohexylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC)C)F

DOS

IR

Vibrations