Geometry & MOs

Info

ID:	35088
PubChem CID:	7979292
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	387.069592
ΔH_f, kcal/mol:	-70.24
Dipole, Da:	1.73
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-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(=C(C=C1)C)OCCC(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations