Geometry & MOs

Info

ID:	392875
PubChem CID:	135018283
Reduced:	OC21H30 (1)
Stoich.:	AB21C30 (1)
Weight, g/mol:	383.155515
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	1.57
IP(EA), eV:	-8.73(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)prop-2-enyl]-4-methyl-N-pent-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCCC[C@H]1C2CC3=CC=CC=C3C(=C2CO1)CC

DOS

IR

Vibrations