Geometry & MOs

Info

ID:

113496

PubChem CID:

50448082

Reduced:

F4O5N6H36C38 (1)

Stoich.:

A4B5C6D36E38 (1)

Weight, g/mol:

708.282696

ΔHf, kcal/mol:

-302.0

Dipole, Da:

7.8

IP(EA), eV:

 -8.98(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)F)F)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations