Geometry & MOs

Info

ID:	35187
PubChem CID:	7979444
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	-149.83
Dipole, Da:	2.7
IP(EA), eV:	-9.01(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-ylmethylamino)-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

C1C[C@]2(N(C1=O)[C@@H](CS2)C(=O)OCC(=O)NCC3=CC=CO3)C4=CC=CC=C4

DOS

IR

Vibrations