Geometry & MOs

Info

ID:	398216
PubChem CID:	135032334
Reduced:	H8C11 (3)
Stoich.:	A8B11 (3)
Weight, g/mol:	334.044585
ΔH_f, kcal/mol:	254.19
Dipole, Da:	0.39
IP(EA), eV:	-8.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [1-(1,3-dioxoisoindol-2-yl)-3-isocyanopropyl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

C1C=C[C@@H]2C1C3=C(C=C2)C=CC4=C3C5=C(C=CC6=C5C7C(C=C6)C=CC8=CC=CC=C78)C=C4

DOS

IR

Vibrations