Geometry & MOs

Info

ID:	419001
PubChem CID:	135107295
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-162.75
Dipole, Da:	6.14
IP(EA), eV:	-9.18(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC=CC=C3OC)O

DOS

IR

Vibrations