Geometry & MOs

Info

ID:	35068
PubChem CID:	7979267
Reduced:	SN2O3H14C19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-10.74
Dipole, Da:	1.35
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexylmethyl (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=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)NNC(=O)C4=CC=CS4

DOS

IR

Vibrations