Geometry & MOs

Info

ID:	1912
PubChem CID:	5331
Reduced:	NS2C9O10H15 (1)
Stoich.:	AB2C9D10E15 (1)
Weight, g/mol:	361.013738
ΔH_f, kcal/mol:	-416.29
Dipole, Da:	4.69
IP(EA), eV:	-10.77(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11,11-dimethyl-4,4-dioxo-3,5,8,10,12-pentaoxa-4lambda6-thiatricyclo[7.3.0.02,6]dodecan-9-yl)methyl sulfamate

Drug info:

PubChemData

Smile

CC1(OC2C3C(COC2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C

DOS

IR

Vibrations