Geometry & MOs

Info

ID:	420295
PubChem CID:	135112293
Reduced:	OS2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	339.134969
ΔH_f, kcal/mol:	56.42
Dipole, Da:	5.33
IP(EA), eV:	-9.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CS1)C(=O)NCC2=CSC(=N2)C3=NC=CC=N3

DOS

IR

Vibrations