Geometry & MOs

Info

ID:	125752
PubChem CID:	50936902
Reduced:	N2O2C9H14 (2)
Stoich.:	A2B2C9D14 (2)
Weight, g/mol:	285.08235
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	9.18
IP(EA), eV:	-8.87(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-prop-1-ynylphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N2CCNCCNCC2

DOS

IR

Vibrations