Geometry & MOs

Info

ID:	130141
PubChem CID:	51075039
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	345.060569
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	2.86
IP(EA), eV:	-9.1(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfinylmethyl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)NC1=CC=CC(=C1)C(=O)NC)C2=CC=CS2

DOS

IR

Vibrations