Geometry & MOs

Info

ID:	163116
PubChem CID:	57643941
Reduced:	ClN2O2H9C16 (2)
Stoich.:	AB2C2D9E16 (2)
Weight, g/mol:	364.145678
ΔH_f, kcal/mol:	24.49
Dipole, Da:	5.69
IP(EA), eV:	-8.87(-2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C4C(=C(C5=NC6=C(C=C(C=C6)C(=O)NC7=CC=CC=C7)OC5=C4Cl)Cl)O3

DOS

IR

Vibrations