Geometry & MOs

Info

ID:	35233
PubChem CID:	7979547
Reduced:	SN2O3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	381.103479
ΔH_f, kcal/mol:	-42.54
Dipole, Da:	3.44
IP(EA), eV:	-8.94(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations