Geometry & MOs

Info

ID:	34696
PubChem CID:	7978836
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	414.104956
ΔH_f, kcal/mol:	-151.68
Dipole, Da:	8.01
IP(EA), eV:	-9.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoroanilino)-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

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)COC2=C(C=CC=C2C)C

DOS

IR

Vibrations