Geometry & MOs

Info

ID:	306776
PubChem CID:	125240961
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-74.1
Dipole, Da:	4.59
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4aR,8aS)-N-(2-methoxyethyl)-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@]2(CN(C[C@H]2CN(C1)[C@H]3CCOC3)C4=NN=CS4)C(=O)O

DOS

IR

Vibrations