Geometry & MOs

Info

ID:	406315
PubChem CID:	135077232
Reduced:	O2C13H15 (2)
Stoich.:	A2B13C15 (2)
Weight, g/mol:	369.139865
ΔH_f, kcal/mol:	-118.12
Dipole, Da:	0.26
IP(EA), eV:	-9.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-2-ynyl-N-[(1S)-1-(3-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCC(CC#CCOC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations