Geometry & MOs

Info

ID:

392729

PubChem CID:

135017760

Reduced:

N2O7H16C21 (1)

Stoich.:

A2B7C16D21 (1)

Weight, g/mol:

564.120252

ΔHf, kcal/mol:

-115.47

Dipole, Da:

6.95

IP(EA), eV:

 -8.85(-1.26)

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-8-(2-nitroethyl)-1,2-dihydrofuro[3,2-e]indole-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1[C@@H](OC2=C1C3=C(C=C2)NC=C3/C=C/[N+](=O)[O-])C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations