Geometry & MOs

Info

ID:	157159
PubChem CID:	56422205
Reduced:	S2O3N4H16C19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	434.99023
ΔH_f, kcal/mol:	38.26
Dipole, Da:	4.31
IP(EA), eV:	-9.53(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-methyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=NC(=CS2)C3=CC=NC=C3

DOS

IR

Vibrations