Geometry & MOs

Info

ID:	157453
PubChem CID:	56430239
Reduced:	BrOSN3H20C21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	484.135131
ΔH_f, kcal/mol:	40.97
Dipole, Da:	1.67
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=C(C=C2)Br)C(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations