Geometry & MOs

Info

ID:	28797
PubChem CID:	829695
Reduced:	FNSO3H12C18 (1)
Stoich.:	ABCD3E12F18 (1)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	1.92
IP(EA), eV:	-9.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations