Geometry & MOs

Info

ID:	416170
PubChem CID:	135089179
Reduced:	ClFN2O2C16H22 (1)
Stoich.:	ABC2D2E16F22 (1)
Weight, g/mol:	340.168145
ΔH_f, kcal/mol:	-132.79
Dipole, Da:	3.95
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CN(CCC1CCOCC1)CC(=O)NC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations