Geometry & MOs

Info

ID:	34837
PubChem CID:	7978988
Reduced:	SO2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	403.124215
ΔH_f, kcal/mol:	34.5
Dipole, Da:	4.99
IP(EA), eV:	-8.57(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN(C)C(=S)NCC3=CC=CC=C3

DOS

IR

Vibrations