Geometry & MOs

Info

ID:	140232
PubChem CID:	52666926
Reduced:	Cl2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	414.03841
ΔH_f, kcal/mol:	-56.17
Dipole, Da:	5.24
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-1-(4-fluorophenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations