Geometry & MOs

Info

ID:	34868
PubChem CID:	7979031
Reduced:	OSN3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	24.35
Dipole, Da:	6.95
IP(EA), eV:	-8.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(tert-butylamino)-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

C[C@H](CC(=O)NN(C)C(=S)NCC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations