Geometry & MOs

Info

ID:	34935
PubChem CID:	7979104
Reduced:	ClO2N3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	377.104542
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	3.29
IP(EA), eV:	-9.18(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylcarbamoylamino)-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations