Geometry & MOs

Info

ID:	35118
PubChem CID:	7979340
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	387.069592
ΔH_f, kcal/mol:	-105.8
Dipole, Da:	0.92
IP(EA), eV:	-8.88(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)methyl (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=CC=C1[C@@H](C2=CC=CC=C2)OC[C@H](CN3CCC[C@@H](C3)O)O

DOS

IR

Vibrations