Geometry & MOs

Info

ID:	406316
PubChem CID:	135077233
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	401.14495
ΔH_f, kcal/mol:	-14.67
Dipole, Da:	7.92
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(1S)-1-phenylprop-2-enyl]-N-(3-phenylprop-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC#CCN([C@@H](C=C)C1=CC(=CC=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations