Geometry & MOs

Info

ID:	408590
PubChem CID:	135081357
Reduced:	O5C12H18 (1)
Stoich.:	A5B12C18 (1)
Weight, g/mol:	334.025306
ΔH_f, kcal/mol:	-161.83
Dipole, Da:	6.88
IP(EA), eV:	-10.38(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[bis(dimethylamino)methylidene-(dinitromethyl)-lambda4-sulfanyl] hydrogen sulfate

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)[C@H]([C@H]2C(=O)O)C(=O)OO

DOS

IR

Vibrations