Geometry & MOs

Info

ID:

93640

PubChem CID:

49995821

Reduced:

N6O6C43H54 (1)

Stoich.:

A6B6C43D54 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-232.31

Dipole, Da:

7.85

IP(EA), eV:

 -8.39(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(2-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-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)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6=CC=C(C=C6)C

DOS

IR

Vibrations