Geometry & MOs

Info

ID:	420309
PubChem CID:	135112374
Reduced:	NSF2O5C16H21 (1)
Stoich.:	ABC2D5E16F21 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-302.3
Dipole, Da:	6.03
IP(EA), eV:	-9.69(-1.03)
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]-(3-propan-2-yloxyphenyl)methanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)O

DOS

IR

Vibrations