Geometry & MOs

Info

ID:	34796
PubChem CID:	7978945
Reduced:	SO4N5C18H19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-8.45
Dipole, Da:	7.32
IP(EA), eV:	-8.79(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)-2-oxoethyl] (3R,7aS)-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)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations