Geometry & MOs

Info

ID:	398217
PubChem CID:	135032341
Reduced:	N2S2O3H14C15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	441.091594
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	6.5
IP(EA), eV:	-8.92(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(dimethoxymethyl)-4-(1,3-dioxoisoindol-2-yl)-4-ethoxycarbothioylsulfanylbutanoate

Drug info:

PubChemData

Smile

CCOC(=S)SC(CC[N+]#[C-])N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations