Geometry & MOs

Info

ID:

105735

PubChem CID:

50139324

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-197.64

Dipole, Da:

7.81

IP(EA), eV:

 -8.71(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexanecarbonylamino)-4-methylphenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations