Geometry & MOs

Info

ID:	419120
PubChem CID:	135107539
Reduced:	SN2O3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	324.125612
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	5.63
IP(EA), eV:	-8.51(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCSCC1=C(OC(=C1)C(=O)NCC2=C(C(=O)C(=CN2)C)C)C

DOS

IR

Vibrations