Geometry & MOs

Info

ID:	249371
PubChem CID:	103089001
Reduced:	FOSN2C13H21 (1)
Stoich.:	ABCD2E13F21 (1)
Weight, g/mol:	234.176585
ΔH_f, kcal/mol:	-76.42
Dipole, Da:	4.29
IP(EA), eV:	-8.28(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-amino-5-methylsulfanylpentan-2-yl)amino]pentan-1-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)F)NC(CCCSC)CN

DOS

IR

Vibrations