Geometry & MOs

Info

ID:

181110

PubChem CID:

76715622

Reduced:

SF2N3O7C39H45 (1)

Stoich.:

AB2C3D7E39F45 (1)

Weight, g/mol:

689.277087

ΔHf, kcal/mol:

-319.61

Dipole, Da:

6.93

IP(EA), eV:

 -9.78(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-[2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]acetyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylate

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)CC7=CC=C(C=C7)F

DOS

IR

Vibrations