Geometry & MOs

Info

ID:	406243
PubChem CID:	135076992
Reduced:	BrNSO2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	314.101037
ΔH_f, kcal/mol:	-52.0
Dipole, Da:	1.73
IP(EA), eV:	-8.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-heptanoylthiophen-3-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C(=CS2)Br)C

DOS

IR

Vibrations