Geometry & MOs

Info

ID:	28036
PubChem CID:	825225
Reduced:	O3N5H11C17 (1)
Stoich.:	A3B5C11D17 (1)
Weight, g/mol:	322.015593
ΔH_f, kcal/mol:	29.99
Dipole, Da:	6.46
IP(EA), eV:	-9.54(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyl-3-methylsulfanyl-1,5-dithiophen-2-ylpent-2-ene-1,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C(=C2O)C(=O)C4=NNN=N4

DOS

IR

Vibrations