Geometry & MOs

Info

ID:

115033

PubChem CID:

50506354

Reduced:

FN5O5C36H44 (1)

Stoich.:

AB5C5D36E44 (1)

Weight, g/mol:

671.348298

ΔHf, kcal/mol:

-237.89

Dipole, Da:

5.74

IP(EA), eV:

 -8.21(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-1-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)C)F)OC

DOS

IR

Vibrations