Geometry & MOs

Info

ID:	184341
PubChem CID:	77147511
Reduced:	NOF3C9H10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	449.105468
ΔH_f, kcal/mol:	-179.54
Dipole, Da:	2.77
IP(EA), eV:	-8.39(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(5-aminothiophen-2-yl)sulfonyl-2-methylpiperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

CC(C(F)F)(OC1=CC=C(C=C1)N)F

DOS

IR

Vibrations