Geometry & MOs

Info

ID:	35247
PubChem CID:	7979578
Reduced:	ClN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	-75.8
Dipole, Da:	4.16
IP(EA), eV:	-9.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl)methyl (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations