Geometry & MOs

Info

ID:

103201

PubChem CID:

50070534

Reduced:

ClF2N5O5C34H38 (1)

Stoich.:

AB2C5D5E34F38 (1)

Weight, g/mol:

647.328311

ΔHf, kcal/mol:

-264.11

Dipole, Da:

10.68

IP(EA), eV:

 -8.45(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(2-ethyl-6-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations