Geometry & MOs

Info

ID:	34951
PubChem CID:	7979126
Reduced:	ClN2O4H11C17 (1)
Stoich.:	AB2C4D11E17 (1)
Weight, g/mol:	392.104208
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	4.68
IP(EA), eV:	-9.28(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(ethoxycarbonylamino)-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

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NNC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations