Geometry & MOs

Info

ID:

108539

PubChem CID:

50248898

Reduced:

F2N5O5C34H39 (1)

Stoich.:

A2B5C5D34E39 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-263.57

Dipole, Da:

11.16

IP(EA), eV:

 -8.26(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC=C4F)F)C)OC

DOS

IR

Vibrations