Geometry & MOs

Info

ID:	157470
PubChem CID:	56430373
Reduced:	S2O4N5H19C20 (1)
Stoich.:	A2B4C5D19E20 (1)
Weight, g/mol:	432.065904
ΔH_f, kcal/mol:	-53.56
Dipole, Da:	6.99
IP(EA), eV:	-9.79(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations