Geometry & MOs

Info

ID:	407252
PubChem CID:	135079645
Reduced:	NSO3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	449.238851
ΔH_f, kcal/mol:	-83.68
Dipole, Da:	6.11
IP(EA), eV:	-9.42(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2Z)-cyclododec-2-en-1-yl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(C#CCN(CC=C(C)C)S(=O)(=O)C1=CC=C(C=C1)C)O

DOS

IR

Vibrations