Geometry & MOs

Info

ID:	35025
PubChem CID:	7979207
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-38.16
Dipole, Da:	1.84
IP(EA), eV:	-9.52(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylcarbamoylamino)-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

CC1=CC=C(C=C1)C(=O)NNC(=O)C[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations