Geometry & MOs

Info

ID:	18980
PubChem CID:	551971
Reduced:	NSO3C9H12 (2)
Stoich.:	ABC3D9E12 (2)
Weight, g/mol:	428.107579
ΔH_f, kcal/mol:	-247.74
Dipole, Da:	0.9
IP(EA), eV:	-8.56(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2,5-bis(dimethylcarbamoylsulfanyl)benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1SC(=O)N(C)C)C(=O)OCC)SC(=O)N(C)C

DOS

IR

Vibrations