Geometry & MOs

Info

ID:	35033
PubChem CID:	7979217
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-54.77
Dipole, Da:	3.88
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propylcarbamoylamino)ethyl] (3R,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)OCC3=C(ON=C3C)C

DOS

IR

Vibrations