Geometry & MOs

Info

ID:

117025

PubChem CID:

50585547

Reduced:

ClFO5N6C37H48 (1)

Stoich.:

ABC5D6E37F48 (1)

Weight, g/mol:

734.299489

ΔHf, kcal/mol:

-276.47

Dipole, Da:

3.94

IP(EA), eV:

 -8.8(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-fluoro-3-[(4-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations