Geometry & MOs

Info

ID:

107218

PubChem CID:

50195198

Reduced:

FN6O7C40H47 (1)

Stoich.:

AB6C7D40E47 (1)

Weight, g/mol:

722.415569

ΔHf, kcal/mol:

-285.25

Dipole, Da:

5.99

IP(EA), eV:

 -8.55(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[3-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=CC=C6OC)F

DOS

IR

Vibrations