Geometry & MOs

Info

ID:	35219
PubChem CID:	7979532
Reduced:	O5H16C17 (1)
Stoich.:	A5B16C17 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-149.11
Dipole, Da:	4.7
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-pyrrolidin-1-ylethyl) (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1COC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations