Geometry & MOs

Info

ID:	421235
PubChem CID:	135115630
Reduced:	SN2O3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-108.56
Dipole, Da:	5.08
IP(EA), eV:	-9.84(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N[C@H]1COC[C@H]1CC2=CC=NC=C2

DOS

IR

Vibrations