Geometry & MOs

Info

ID:	34831
PubChem CID:	7978981
Reduced:	SO2N3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	401.109707
ΔH_f, kcal/mol:	19.53
Dipole, Da:	7.16
IP(EA), eV:	-8.42(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)COC2=CC=CC=C2CC3=CC=CC=C3

DOS

IR

Vibrations