Geometry & MOs

Info

ID:

392730

PubChem CID:

135017761

Reduced:

SN2O9H24C28 (1)

Stoich.:

AB2C9D24E28 (1)

Weight, g/mol:

491.103873

ΔHf, kcal/mol:

-196.23

Dipole, Da:

7.9

IP(EA), eV:

 -8.61(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,2R)-2-(1,3-benzodioxol-5-yl)-6-(4-methylphenyl)sulfonyl-1,2-dihydrofuro[3,2-e]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC4=C3[C@H]([C@@H](O4)C5=CC6=C(C=C5)OCO6)C(=O)OC)CC[N+](=O)[O-]

DOS

IR

Vibrations