Geometry & MOs

Info

ID:	155691
PubChem CID:	56366940
Reduced:	SO3N5H19C22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	15.13
Dipole, Da:	5.76
IP(EA), eV:	-8.4(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)NC3=CC4=C(C=C3SC5=CC=CC=C5)OCCO4)C

DOS

IR

Vibrations