Geometry & MOs

Info

ID:

108310

PubChem CID:

50240499

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-272.61

Dipole, Da:

5.98

IP(EA), eV:

 -8.78(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(propanoylamino)anilino]-3-oxopropyl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C(C)C

DOS

IR

Vibrations