Geometry & MOs

Info

ID:	301947
PubChem CID:	123101510
Reduced:	N2S2O6C21H24 (1)
Stoich.:	A2B2C6D21E24 (1)
Weight, g/mol:	305.129694
ΔH_f, kcal/mol:	-208.19
Dipole, Da:	10.15
IP(EA), eV:	-8.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 2-(2-morpholin-4-yl-2-oxoethyl)sulfinylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CS(=O)CC(=O)N3CCOCC3

DOS

IR

Vibrations