Geometry & MOs

Info

ID:	39519
PubChem CID:	8141136
Reduced:	SN2O3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	402.96262
ΔH_f, kcal/mol:	-39.52
Dipole, Da:	4.81
IP(EA), eV:	-8.4(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations