Geometry & MOs

Info

ID:	418381
PubChem CID:	135104448
Reduced:	SO4N5C14H23 (1)
Stoich.:	AB4C5D14E23 (1)
Weight, g/mol:	380.150285
ΔH_f, kcal/mol:	-129.88
Dipole, Da:	3.88
IP(EA), eV:	-9.81(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[2-(4-chloro-2-methylphenoxy)acetyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=NN=C3N2CCCC3

DOS

IR

Vibrations