Geometry & MOs

Info

ID:	419544
PubChem CID:	135108400
Reduced:	NSF2O5C16H19 (1)
Stoich.:	ABC2D5E16F19 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-267.95
Dipole, Da:	7.88
IP(EA), eV:	-10.0(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)S(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations