Geometry & MOs

Info

ID:	9798
PubChem CID:	93397
Reduced:	N2O2S2C6H11 (2)
Stoich.:	A2B2C2D6E11 (2)
Weight, g/mol:	414.05239
ΔH_f, kcal/mol:	-82.07
Dipole, Da:	1.21
IP(EA), eV:	-8.94(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[methyl-[2-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylethylsulfanyl]carbamoyl]oxyethanimidothioate

Drug info:

PubChemData

Smile

CC(=NOC(=O)N(C)SCCSN(C)C(=O)ON=C(C)SC)SC

DOS

IR

Vibrations