Geometry & MOs

Info

ID:	35108
PubChem CID:	7979322
Reduced:	SO2N3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	26.58
Dipole, Da:	1.77
IP(EA), eV:	-9.46(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NNC(=O)C3=CC=CS3

DOS

IR

Vibrations