Geometry & MOs

Info

ID:

114371

PubChem CID:

50480720

Reduced:

ClF2O5N6H39C40 (1)

Stoich.:

AB2C5D6E39F40 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-229.73

Dipole, Da:

8.94

IP(EA), eV:

 -8.59(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl)C(=O)NC6=CC(=C(C=C6)F)F

DOS

IR

Vibrations