Geometry & MOs

Info

ID:	175390
PubChem CID:	75896911
Reduced:	SF2O3N4H16C20 (1)
Stoich.:	AB2C3D4E16F20 (1)
Weight, g/mol:	440.209341
ΔH_f, kcal/mol:	-118.16
Dipole, Da:	0.79
IP(EA), eV:	-9.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]propyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations