Geometry & MOs

Info

ID:	131516
PubChem CID:	51218219
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-137.85
Dipole, Da:	7.73
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-oxopyrrolidin-1-yl)phenyl] 7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations