Geometry & MOs

Info

ID:	202520
PubChem CID:	79681966
Reduced:	SN2O3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	263.119129
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	4.03
IP(EA), eV:	-9.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydroxypropylsulfanyl)-1-morpholin-4-ylbutan-1-one

Drug info:

PubChemData

Smile

CCNC(=O)C1=NC=CC(=C1)SCC(CO)O

DOS

IR

Vibrations