Geometry & MOs

Info

ID:	433667
PubChem CID:	135173807
Reduced:	SN6C33H36 (1)
Stoich.:	AB6C33D36 (1)
Weight, g/mol:	160.055801
ΔH_f, kcal/mol:	123.86
Dipole, Da:	3.51
IP(EA), eV:	-8.19(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-hydroxy-5-methylthiolan-2-one

Drug info:

PubChemData

Smile

CCCN(CC)CC1=CN=C2C(=C1)C=CN=C2NC3=CC=CC(=C3C)C4=C(C(=CC=C4)C5=NC6=C(S5)CNC6)C

DOS

IR

Vibrations