Geometry & MOs

Info

ID:	422482
PubChem CID:	135117910
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	337.119319
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	4.15
IP(EA), eV:	-9.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N(CCO)CC2=CN=CN2C

DOS

IR

Vibrations