Geometry & MOs

Info

ID:	34961
PubChem CID:	7979138
Reduced:	O3N5H17C22 (1)
Stoich.:	A3B5C17D22 (1)
Weight, g/mol:	401.093309
ΔH_f, kcal/mol:	20.22
Dipole, Da:	3.03
IP(EA), eV:	-9.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methoxycarbonylfuran-2-yl)methyl (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NNC(=O)C4=CC=CC=N4

DOS

IR

Vibrations