Geometry & MOs

Info

ID:	34800
PubChem CID:	7978949
Reduced:	ClSO2N3C18H20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	8.37
IP(EA), eV:	-8.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)NN(C)C(=S)NCC2=CC=CC=C2)Cl

DOS

IR

Vibrations