Geometry & MOs

Info

ID:

220407

PubChem CID:

85182438

Reduced:

S2O5N8C17H19 (1)

Stoich.:

A2B5C8D17E19 (1)

Weight, g/mol:

478.271924

ΔHf, kcal/mol:

-15.61

Dipole, Da:

1.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780756

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-4-phenylmethoxy-6-(3-phenylmethoxypropyl)-2,7,11-trioxatricyclo[8.5.0.03,8]pentadec-13-ene

Drug info:

PubChemData

Smile

C[N+]1=NN(C=C1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)O

DOS

IR

Vibrations