Geometry & MOs

Info

ID:

173459

PubChem CID:

75640613

Reduced:

N2O3S3H11C17 (1)

Stoich.:

A2B3C3D11E17 (1)

Weight, g/mol:

237.091555

ΔHf, kcal/mol:

99.92

Dipole, Da:

26.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.883535

Charge, e:

 -1

Chem-info

IUPAC name:

1,2-diphenylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=NC(=S)S3)[O-])[N+](=O)[O-]

DOS

IR

Vibrations