Geometry & MOs

Info

ID:	149520
PubChem CID:	53789193
Reduced:	FSO3N4H23C25 (1)
Stoich.:	ABC3D4E23F25 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-57.3
Dipole, Da:	11.18
IP(EA), eV:	-9.31(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-5-(1-phenylbut-1-enyl)phenyl]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

CCN=C1C2=CSC3=C(C(=O)C4=CC(=C(C1=C4N23)N5CC6C7CCC(C6C5)(C=C7)N)F)C(=O)O

DOS

IR

Vibrations