Geometry & MOs

Info

ID:

181017

PubChem CID:

76715528

Reduced:

FNO2C16H22 (1)

Stoich.:

ABC2D16E22 (1)

Weight, g/mol:

751.312507

ΔHf, kcal/mol:

-125.86

Dipole, Da:

3.32

IP(EA), eV:

 -9.07(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[1-[3-(3-fluoro-5-methylphenyl)propanoyl]-4-[(6-methyl-1,3-benzothiazol-2-yl)oxy]pyrrolidin-2-yl]-2-oxoethyl]-N-(1-methylcyclopropyl)sulfonyl-2-oct-1-enylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(CCCCCC=C)C(=O)O)F

DOS

IR

Vibrations