Geometry & MOs

Info

ID:	11395
PubChem CID:	114958
Reduced:	NSO3C12H14 (2)
Stoich.:	ABC3D12E14 (2)
Weight, g/mol:	504.138879
ΔH_f, kcal/mol:	-215.64
Dipole, Da:	5.22
IP(EA), eV:	-8.51(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxycarbonyl-methylamino]disulfanyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SSN(C)C(=O)OC3=CC4=C(C=C3)OC(C4)(C)C)C

DOS

IR

Vibrations