Geometry & MOs

Info

ID:

173186

PubChem CID:

75608079

Reduced:

N11O15C33H53 (1)

Stoich.:

A11B15C33D53 (1)

Weight, g/mol:

1465.489259

ΔHf, kcal/mol:

-482.76

Dipole, Da:

11.4

IP(EA), eV:

 -9.24(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[bis[2-[6-(2,4-dinitroanilino)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]amino]-6-[[2-[6-(2,4-dinitroanilino)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]-[2-hydroxy-2-(6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]amino]cyclohexane-1,2,3-triol

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)C(CNC3CC(C(C(C3O)O)O)N(CC(C4C(C5C(O4)OC(O5)(C)C)N=[N+]=[N-])O)CC(C6C(C7C(O6)OC(O7)(C)C)N=[N+]=[N-])O)O)N=[N+]=[N-])C

DOS

IR

Vibrations