Geometry & MOs

Info

ID:	35159
PubChem CID:	7979401
Reduced:	S2N3O4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	390.124943
ΔH_f, kcal/mol:	-91.68
Dipole, Da:	1.62
IP(EA), eV:	-8.73(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NNC(=O)C1=CC=CS1)NC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations