Geometry & MOs

Info

ID:	35186
PubChem CID:	7979443
Reduced:	F2N3O5C19H19 (1)
Stoich.:	A2B3C5D19E19 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	-249.99
Dipole, Da:	6.0
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-ylmethylamino)-2-oxoethyl] (3R,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)CNC(=O)C2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations