Geometry & MOs

Info

ID:	422043
PubChem CID:	135117074
Reduced:	FN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-133.08
Dipole, Da:	6.6
IP(EA), eV:	-9.06(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(1,3-benzothiazole-5-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1CCCN(C1)CC(=O)NCCC2=CC=C(C=C2)F

DOS

IR

Vibrations