Geometry & MOs

Info

ID:

173189

PubChem CID:

75608082

Reduced:

N14O19C45H70 (1)

Stoich.:

A14B19C45D70 (1)

Weight, g/mol:

565.169644

ΔHf, kcal/mol:

-592.85

Dipole, Da:

4.85

IP(EA), eV:

 -9.05(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-(2,4-dinitroanilino)-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate

Drug info:

PubChemData

Smile

CC1(OC2C(CC(C(C2O1)O)N(CC(C3C(C4C(O3)OC(O4)(C)C)N=[N+]=[N-])O)CC(C5C(C6C(O5)OC(O6)(C)C)N=[N+]=[N-])O)N(CC(C7C(C8C(O7)OC(O8)(C)C)N=[N+]=[N-])O)CC(C9C(C1C(O9)OC(O1)(C)C)N=[N+]=[N-])O)C

DOS

IR

Vibrations