Geometry & MOs

Info

ID:	35142
PubChem CID:	7979377
Reduced:	ClNSO4H18C21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	415.064507
ΔH_f, kcal/mol:	-112.42
Dipole, Da:	2.94
IP(EA), eV:	-9.12(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-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

C1C[C@]2(N(C1=O)[C@@H](CS2)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations