Geometry & MOs

Info

ID:	34959
PubChem CID:	7979136
Reduced:	ClN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	401.093309
ΔH_f, kcal/mol:	-108.51
Dipole, Da:	2.04
IP(EA), eV:	-8.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxycarbonylfuran-2-yl)methyl (3R,7aS)-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)N2C[C@@H](CC2=O)C(=O)NNC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations