Geometry & MOs

Info

ID:	35192
PubChem CID:	7979457
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	3.03
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopropylamino)-2-oxoethyl] (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)C(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations