Geometry & MOs

Info

ID:	34943
PubChem CID:	7979117
Reduced:	BrClO2N3H9C13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	415.108959
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	2.5
IP(EA), eV:	-9.49(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)C2=CC(=CN=C2)Br

DOS

IR

Vibrations