Geometry & MOs

Info

ID:

181368

PubChem CID:

76735460

Reduced:

SN3O11C40H53 (1)

Stoich.:

AB3C11D40E53 (1)

Weight, g/mol:

574.369196

ΔHf, kcal/mol:

-410.92

Dipole, Da:

10.29

IP(EA), eV:

 -8.67(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[3-(benzenesulfonylmethyl)-4-methyl-5-(2-methylbutyl)oxolan-2-yl]-2-methyl-3-methylidenepentyl]-3a-ethyl-2-methyl-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)N4CC5=CC6=C(C=C5C4)OCCCO6)C(=O)CS(=O)(=O)C7CC7

DOS

IR

Vibrations