Geometry & MOs

Info

ID:

97968

PubChem CID:

50037410

Reduced:

SF2O4N7C30H35 (1)

Stoich.:

AB2C4D7E30F35 (1)

Weight, g/mol:

645.237445

ΔHf, kcal/mol:

-198.17

Dipole, Da:

9.26

IP(EA), eV:

 -9.06(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations