Geometry & MOs

Info

ID:	417004
PubChem CID:	135091080
Reduced:	NSO4C18H27 (1)
Stoich.:	ABC4D18E27 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-187.87
Dipole, Da:	5.39
IP(EA), eV:	-8.9(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)CCCC3=CC=CS3)O

DOS

IR

Vibrations