Geometry & MOs

Info

ID:	149137
PubChem CID:	53788809
Reduced:	S2N4O10H36C41 (1)
Stoich.:	A2B4C10D36E41 (1)
Weight, g/mol:	215.061614
ΔH_f, kcal/mol:	-211.93
Dipole, Da:	9.18
IP(EA), eV:	-8.65(-2.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-pyridin-3-ylsulfonylpropan-1-ol

Drug info:

PubChemData

Smile

C1=CC2=CC3=C4C(=CC(=O)N(C4=O)CCNCCC(CS(=O)(=O)O)(CS(=O)(=O)O)NCCN5C(=O)C=C6C=CC7=CC8=CC=CC8=CC7=C6C5=O)C=CC3=CC2=C1

DOS

IR

Vibrations