Geometry & MOs

Info

ID:

1502

PubChem CID:

4606

Reduced:

NOSC8H18 (1)

Stoich.:

ABCD8E18 (1)

Weight, g/mol:

176.11091

ΔHf, kcal/mol:

-28.69

Dipole, Da:

2.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.751599

Charge, e:

 1

Chem-info

IUPAC name:

trimethyl-[(2-methyl-1,3-oxathiolan-5-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1OC(CS1)C[N+](C)(C)C

DOS

IR

Vibrations