Geometry & MOs

Info

ID:	34702
PubChem CID:	7978845
Reduced:	SN4O4C16H18 (1)
Stoich.:	AB4C4D16E18 (1)
Weight, g/mol:	414.104956
ΔH_f, kcal/mol:	-84.98
Dipole, Da:	4.67
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-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

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)C2=CC=CC=N2

DOS

IR

Vibrations