Geometry & MOs

Info

ID:

110765

PubChem CID:

50339339

Reduced:

SF2O4N6C28H30 (1)

Stoich.:

AB2C4D6E28F30 (1)

Weight, g/mol:

598.217381

ΔHf, kcal/mol:

-190.24

Dipole, Da:

8.29

IP(EA), eV:

 -9.04(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=NC=CS4

DOS

IR

Vibrations