Geometry & MOs

Info

ID:	265347
PubChem CID:	103517787
Reduced:	BrSO2N3C8H12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	300.05857
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	8.38
IP(EA), eV:	-8.68(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-5-bromopyridin-4-yl)amino]-N-propylpropanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCNC1=C(C=NC=C1N)Br

DOS

IR

Vibrations