Geometry & MOs

Info

ID:	434041
PubChem CID:	135174194
Reduced:	OSF3N3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	457.239913
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	3.02
IP(EA), eV:	-9.14(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(azetidin-3-ylmethylamino)methyl]-5-prop-2-enoxyphenyl]methyl]-4-butylbenzenesulfonamide

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=NC(=CS2)C(F)(F)F)CNCC3CNC3

DOS

IR

Vibrations