Geometry & MOs

Info

ID:	243577
PubChem CID:	99226940
Reduced:	FN3O5H18C22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	424.173311
ΔH_f, kcal/mol:	-101.01
Dipole, Da:	7.46
IP(EA), eV:	-8.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-N-[(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations