Geometry & MOs

Info

ID:	35070
PubChem CID:	7979270
Reduced:	O2S2N3H11C15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	38.08
Dipole, Da:	0.53
IP(EA), eV:	-9.3(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexylmethyl (3S,7aS)-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)N=C(S2)/C=C/C(=O)NNC(=O)C3=CC=CS3

DOS

IR

Vibrations