Geometry & MOs

Info

ID:	42503
PubChem CID:	8149630
Reduced:	SN4O5C19H26 (1)
Stoich.:	AB4C5D19E26 (1)
Weight, g/mol:	404.086449
ΔH_f, kcal/mol:	-205.13
Dipole, Da:	5.02
IP(EA), eV:	-9.09(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-4-[4-(benzenesulfonyl)-2-thiophen-2-yl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)N3CCN(CC3)C(=O)OCC)C

DOS

IR

Vibrations