Geometry & MOs

Info

ID:	306912
PubChem CID:	125264311
Reduced:	SN2O5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-178.91
Dipole, Da:	3.73
IP(EA), eV:	-9.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-1-(6-methylpyridazin-3-yl)-4-(oxan-4-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2C[C@@H]([C@H]3[C@H]2CCCO3)NS(=O)(=O)C

DOS

IR

Vibrations