Geometry & MOs

Info

ID:

181161

PubChem CID:

76715673

Reduced:

SF2N4O7C38H44 (1)

Stoich.:

AB2C4D7E38F44 (1)

Weight, g/mol:

748.366985

ΔHf, kcal/mol:

-306.01

Dipole, Da:

6.5

IP(EA), eV:

 -9.49(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC(=O)N5CC6=C(C5)C(=CC=C6)F)NC7=CC=CC=C7F

DOS

IR

Vibrations