Geometry & MOs

Info

ID:	421673
PubChem CID:	135116409
Reduced:	OSN3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	372.146741
ΔH_f, kcal/mol:	19.96
Dipole, Da:	4.25
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(4aS,8aS)-4a-(hydroxymethyl)-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-7-yl]sulfonyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)N2CC(C2)N3C(=CC(=N3)C)C

DOS

IR

Vibrations