Geometry & MOs

Info

ID:	416591
PubChem CID:	135089744
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	361.162412
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	4.38
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC=CS3

DOS

IR

Vibrations