Geometry & MOs

Info

ID:	147929
PubChem CID:	53787589
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	453.138611
ΔH_f, kcal/mol:	-66.68
Dipole, Da:	5.54
IP(EA), eV:	-8.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-2,4-dichloro-3-methylphenoxy)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1(C=C(C2=CC(=C(C=C2O1)OC)OC)NNC(=S)N)C

DOS

IR

Vibrations