Geometry & MOs

Info

ID:	141677
PubChem CID:	52913858
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	347.039834
ΔH_f, kcal/mol:	-190.35
Dipole, Da:	6.83
IP(EA), eV:	-10.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylsulfonylpyrrol-3-yl)-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC(=O)C2=C[C@]3(C(=C(C(=O)O3)C)[C@H]([C@]12C)OC)OC

DOS

IR

Vibrations