Geometry & MOs

Info

ID:	420906
PubChem CID:	135115023
Reduced:	SF2N2O3C16H22 (1)
Stoich.:	AB2C2D3E16F22 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	-202.27
Dipole, Da:	3.89
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F)CO

DOS

IR

Vibrations