Geometry & MOs

Info

ID:	34857
PubChem CID:	7979018
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	32.63
Dipole, Da:	7.91
IP(EA), eV:	-8.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxyethylamino)-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)C2=CC(=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations