Geometry & MOs

Info

ID:	180711
PubChem CID:	76673669
Reduced:	SO2F3N7H14C20 (1)
Stoich.:	AB2C3D7E14F20 (1)
Weight, g/mol:	376.243602
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	8.04
IP(EA), eV:	-9.32(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-hydroxyheptyl)phenyl]-2-(4-methylsulfanylbut-2-enyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=NC2=C(S1)C3=C(C=C2C(F)(F)F)NN=C3)NC4=CC5=NC(=O)N=C5C=C4

DOS

IR

Vibrations