Geometry & MOs

Info

ID:	404950
PubChem CID:	135071848
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	525.233765
ΔH_f, kcal/mol:	-94.5
Dipole, Da:	2.95
IP(EA), eV:	-9.57(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyclohexen-1-yl)-3-hydroxy-1,3-diphenylpent-4-yn-2-yl]-4-methyl-N-prop-2-enylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C(C/C=C\C1=CC=CC=C1)(CC#C)C(=O)OC

DOS

IR

Vibrations