Geometry & MOs

Info

ID:	34838
PubChem CID:	7978989
Reduced:	NSO3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	403.124215
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	2.45
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-1-ylmethyl (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)OCC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations