Geometry & MOs

Info

ID:	271355
PubChem CID:	103661396
Reduced:	BrSO3N4C9H15 (1)
Stoich.:	ABC3D4E9F15 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-92.17
Dipole, Da:	4.19
IP(EA), eV:	-9.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfonyl-N-(pyridin-4-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)NCCCNS(=O)(=O)C)Br

DOS

IR

Vibrations