Geometry & MOs

Info

ID:	35204
PubChem CID:	7979481
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	414.104956
ΔH_f, kcal/mol:	-107.19
Dipole, Da:	3.25
IP(EA), eV:	-8.66(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluoroanilino)-2-oxoethyl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)[C@@H](CCSC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations