Geometry & MOs

Info

ID:	278186
PubChem CID:	103833932
Reduced:	ClS2N3O3C11H18 (1)
Stoich.:	AB2C3D3E11F18 (1)
Weight, g/mol:	378.03612
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	4.9
IP(EA), eV:	-9.05(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-amino-5-bromopyridin-3-yl)sulfonyl-1,4-diazepan-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)Cl)S(=O)(=O)N2CCCN(CC2)CCO

DOS

IR

Vibrations