Geometry & MOs

Info

ID:

187593

PubChem CID:

77595341

Reduced:

SN2O4H13C16 (1)

Stoich.:

AB2C4D13E16 (1)

Weight, g/mol:

447.062638

ΔHf, kcal/mol:

-55.16

Dipole, Da:

8.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.770471

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CC(=C(C=C2)N3C(=O)C(=O)N=[S-]3=O)O

DOS

IR

Vibrations