Geometry & MOs

Info

ID:	158783
PubChem CID:	56468415
Reduced:	FSO2N6H19C21 (1)
Stoich.:	ABC2D6E19F21 (1)
Weight, g/mol:	423.218287
ΔH_f, kcal/mol:	41.66
Dipole, Da:	9.44
IP(EA), eV:	-9.45(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)F)N4C(=NN=N4)C

DOS

IR

Vibrations