Geometry & MOs

Info

ID:

97564

PubChem CID:

50032661

Reduced:

SF2O4N7C31H37 (1)

Stoich.:

AB2C4D7E31F37 (1)

Weight, g/mol:

633.312661

ΔHf, kcal/mol:

-207.4

Dipole, Da:

14.95

IP(EA), eV:

 -8.96(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations