Geometry & MOs

Info

ID:	35160
PubChem CID:	7979402
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-180.57
Dipole, Da:	4.35
IP(EA), eV:	-9.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-morpholin-4-yl-2-oxoethyl) (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@H](CS2)C(=O)OCC(=O)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations