Geometry & MOs

Info

ID:	422819
PubChem CID:	135118469
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	2.26
IP(EA), eV:	-9.28(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-(1,3-thiazol-2-yl)-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=NC=CC3=CC=CC=C32

DOS

IR

Vibrations