Geometry & MOs

Info

ID:	399621
PubChem CID:	135041287
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	289.11365
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	3.9
IP(EA), eV:	-9.27(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-but-2-enyl]-4-methyl-N-[(E)-pent-2-en-4-ynyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@@](CCOCC1=CC=CC=C1)(CO)/C=C/C

DOS

IR

Vibrations