Geometry & MOs

Info

ID:	420399
PubChem CID:	135112945
Reduced:	FN2O4C18H25 (1)
Stoich.:	AB2C4D18E25 (1)
Weight, g/mol:	344.122835
ΔH_f, kcal/mol:	-205.59
Dipole, Da:	1.63
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations