Geometry & MOs

Info

ID:	230359
PubChem CID:	87570714
Reduced:	ClS2O3N4C23H33 (1)
Stoich.:	AB2C3D4E23F33 (1)
Weight, g/mol:	237.152892
ΔH_f, kcal/mol:	-108.52
Dipole, Da:	4.2
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-fluoro-3-[(E)-hept-2-enoxy]phenyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCCC(C)N2CCC(CC2)N[C@@H](C3=CSC=C3)S(=O)(=O)C)C)Cl

DOS

IR

Vibrations