Geometry & MOs

Info

ID:	184513
PubChem CID:	77171927
Reduced:	SO4N5C27H41 (1)
Stoich.:	AB4C5D27E41 (1)
Weight, g/mol:	380.135029
ΔH_f, kcal/mol:	-180.92
Dipole, Da:	3.81
IP(EA), eV:	-8.65(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloropyridine;5-(1,3-dihydroxypropan-2-ylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

CC1CC(CC(C1)C2=NC3(CCN(CC3)S(=O)(=O)CCC4=C(C=C(C=C4C)N(C)C(=O)N)C)C(=O)N2)C

DOS

IR

Vibrations