Geometry & MOs

Info

ID:	35144
PubChem CID:	7979380
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	415.064507
ΔH_f, kcal/mol:	-41.61
Dipole, Da:	0.53
IP(EA), eV:	-9.01(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1C[C@H]2CC(=O)NNC(=O)C3=CC=CS3

DOS

IR

Vibrations