Geometry & MOs

Info

ID:	405577
PubChem CID:	135074483
Reduced:	BClSO5C18H28 (1)
Stoich.:	ABCD5E18F28 (1)
Weight, g/mol:	267.092915
ΔH_f, kcal/mol:	-307.11
Dipole, Da:	3.56
IP(EA), eV:	-10.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-(4-methoxyphenyl)ethynesulfonamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)CCCCCCOS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations