Geometry & MOs

Info

ID:	35060
PubChem CID:	7979246
Reduced:	NSO5H21C22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	-145.84
Dipole, Da:	3.39
IP(EA), eV:	-9.04(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)-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

COC1=CC=C(C=C1)C(=O)COC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations