Geometry & MOs

Info

ID:	364846
PubChem CID:	127316287
Reduced:	S2N3O4C14H23 (1)
Stoich.:	A2B3C4D14E23 (1)
Weight, g/mol:	332.122835
ΔH_f, kcal/mol:	-144.89
Dipole, Da:	3.5
IP(EA), eV:	-8.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(thian-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)NCC2CCSCC2

DOS

IR

Vibrations