Geometry & MOs

Info

ID:	162791
PubChem CID:	57570865
Reduced:	N2S4O7C20H34 (1)
Stoich.:	A2B4C7D20E34 (1)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	-311.13
Dipole, Da:	7.31
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-aminopropoxy)-6-(hydroxymethyl)pyridin-2-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(CCC(=O)N(C)CCCC1=CC(=NC(=C1)COS(=O)(=O)C)COS(=O)(=O)C)SSC

DOS

IR

Vibrations