Geometry & MOs

Info

ID:

116792

PubChem CID:

50576212

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-239.11

Dipole, Da:

3.0

IP(EA), eV:

 -8.58(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[2-[3-(cyclohexanecarbonylamino)-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C)NC(=O)CC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations