Geometry & MOs

Info

ID:	131447
PubChem CID:	51206521
Reduced:	FN2O2C19H27 (1)
Stoich.:	AB2C2D19E27 (1)
Weight, g/mol:	369.131112
ΔH_f, kcal/mol:	-149.65
Dipole, Da:	2.72
IP(EA), eV:	-9.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)C1(CCCC1)C2=CC=C(C=C2)F

DOS

IR

Vibrations