Geometry & MOs

Info

ID:	379686
PubChem CID:	134457174
Reduced:	FSN5O5C27H28 (1)
Stoich.:	ABC5D5E27F28 (1)
Weight, g/mol:	161.087435
ΔH_f, kcal/mol:	-125.21
Dipole, Da:	6.55
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylsulfanylpiperidin-3-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)[C@@H]4CCC(=O)N4C5=CC(=C(N=C5)OC)F)C6CCS(=O)(=O)CC6

DOS

IR

Vibrations