Geometry & MOs

Info

ID:	212932
PubChem CID:	81062273
Reduced:	BrNSO3C12H18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-111.58
Dipole, Da:	5.9
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=C(C=C(C=C1)C)Br

DOS

IR

Vibrations