Geometry & MOs

Info

ID:	202519
PubChem CID:	79681397
Reduced:	SN3O3C11H21 (1)
Stoich.:	AB3C3D11E21 (1)
Weight, g/mol:	256.088164
ΔH_f, kcal/mol:	-124.61
Dipole, Da:	1.95
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydroxypropylsulfanyl)-N-ethylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CN1CCOC(C1)C(=S)N

DOS

IR

Vibrations