Geometry & MOs

Info

ID:

92705

PubChem CID:

49989142

Reduced:

N5O6C33H45 (1)

Stoich.:

A5B6C33D45 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-247.7

Dipole, Da:

5.74

IP(EA), eV:

 -8.28(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations