Geometry & MOs

Info

ID:

112006

PubChem CID:

50391495

Reduced:

O5N6C41H58 (1)

Stoich.:

A5B6C41D58 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-250.82

Dipole, Da:

9.84

IP(EA), eV:

 -8.71(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-benzamido-4-fluoroanilino)-3-oxopropyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC=C4C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations