Geometry & MOs

Info

ID:	54206
PubChem CID:	15047381
Reduced:	S5O9C51H56 (1)
Stoich.:	A5B9C51D56 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-170.11
Dipole, Da:	4.97
IP(EA), eV:	-8.43(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[bis(prop-2-enyl)amino]ethyl]-1,1-dioxo-2,5-dihydrothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1C(CSC2=C(S1)SC(=S)S2)OCCOCCOCCOCCOC3=CC=C(C=C3)OCCOCCOCCOC4=CC=C(C=C4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations