Geometry & MOs

Info

ID:	34840
PubChem CID:	7978991
Reduced:	SCl2O2N3C17H17 (1)
Stoich.:	AB2C2D3E17F17 (1)
Weight, g/mol:	403.124215
ΔH_f, kcal/mol:	-13.14
Dipole, Da:	4.65
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations