Geometry & MOs

Info

ID:

107862

PubChem CID:

50221694

Reduced:

SF2O4N5C32H35 (1)

Stoich.:

AB2C4D5E32F35 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-203.27

Dipole, Da:

7.39

IP(EA), eV:

 -8.55(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations