Geometry & MOs

Info

ID:	34853
PubChem CID:	7979013
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-159.59
Dipole, Da:	5.27
IP(EA), eV:	-9.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)COC(=O)[C@@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations