Geometry & MOs

Info

ID:	420037
PubChem CID:	135110827
Reduced:	SN3O5C12H19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-219.98
Dipole, Da:	6.27
IP(EA), eV:	-9.31(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(1,3-benzothiazol-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=O)N1)CCN(C)[C@@H]2CS(=O)(=O)C[C@H]2O

DOS

IR

Vibrations