Geometry & MOs

Info

ID:	35234
PubChem CID:	7979548
Reduced:	NSO4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	381.103479
ΔH_f, kcal/mol:	-103.32
Dipole, Da:	2.53
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl (3R,7aS)-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)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations