Geometry & MOs

Info

ID:

113212

PubChem CID:

50435440

Reduced:

ClF2O5N6C39H39 (1)

Stoich.:

AB2C5D6E39F39 (1)

Weight, g/mol:

650.266439

ΔHf, kcal/mol:

-238.99

Dipole, Da:

6.6

IP(EA), eV:

 -8.75(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-methoxyanilino)-3-oxopropyl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F)Cl

DOS

IR

Vibrations