Geometry & MOs

Info

ID:	431259
PubChem CID:	135171330
Reduced:	SN6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	232.07693
ΔH_f, kcal/mol:	90.17
Dipole, Da:	9.08
IP(EA), eV:	-7.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetylsulfanyl-5-oxohexanoate

Drug info:

PubChemData

Smile

CC1=CSC2=NC/C(=C\3/NC4=C(N3)C=C(C=C4)N5CCN(CC5)C)/C(=C12)N

DOS

IR

Vibrations