Geometry & MOs

Info

ID:	413131
PubChem CID:	135086075
Reduced:	SN2O6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	335.119129
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	2.11
IP(EA), eV:	-10.4(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(5-hydroxypent-3-ynyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N(CCC#CCO)CCC#CCO

DOS

IR

Vibrations