Geometry & MOs

Info

ID:	64722
PubChem CID:	29203909
Reduced:	FO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	399.141676
ΔH_f, kcal/mol:	-92.28
Dipole, Da:	6.85
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations