Geometry & MOs

Info

ID:	160367
PubChem CID:	57309715
Reduced:	N2S2O3C30H36 (1)
Stoich.:	A2B2C3D30E36 (1)
Weight, g/mol:	222.11907
ΔH_f, kcal/mol:	-61.81
Dipole, Da:	7.29
IP(EA), eV:	-8.16(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(piperidin-1-ylmethyl)pyridin-2-yl]methanethiol

Drug info:

PubChemData

Smile

CCC(=O)N(C1CCNC(C1)C(CCSC2=CC=CC=C2OC)OC3=CC=CC=C3S)C4=CC=CC=C4

DOS

IR

Vibrations