Geometry & MOs

Info

ID:	418706
PubChem CID:	135106623
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-138.39
Dipole, Da:	5.14
IP(EA), eV:	-8.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-7-carbonyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)NCC4=CC(=CC=C4)F)OCC2

DOS

IR

Vibrations