Geometry & MOs

Info

ID:	34834
PubChem CID:	7978984
Reduced:	BrOSN3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	401.109707
ΔH_f, kcal/mol:	52.91
Dipole, Da:	3.65
IP(EA), eV:	-8.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methoxyphenyl)methyl (3S,7aS)-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)/C=C/C2=CC(=CC=C2)Br

DOS

IR

Vibrations