Geometry & MOs

Info

ID:

97453

PubChem CID:

50031847

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-196.23

Dipole, Da:

6.02

IP(EA), eV:

 -8.72(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations