Geometry & MOs

Info

ID:	421101
PubChem CID:	135115383
Reduced:	SN2O5C18H28 (1)
Stoich.:	AB2C5D18E28 (1)
Weight, g/mol:	345.16079
ΔH_f, kcal/mol:	-207.37
Dipole, Da:	2.44
IP(EA), eV:	-8.7(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)OC

DOS

IR

Vibrations