Geometry & MOs

Info

ID:	34798
PubChem CID:	7978947
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-12.03
Dipole, Da:	3.09
IP(EA), eV:	-8.76(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)-2-oxoethyl] (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

DOS

IR

Vibrations