Geometry & MOs

Info

ID:	43711
PubChem CID:	10321681
Reduced:	S2O3N5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	453.260312
ΔH_f, kcal/mol:	8.37
Dipole, Da:	3.22
IP(EA), eV:	-8.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3R)-3-[[(3R,4R)-3-methyloxan-4-yl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N(C1=O)CC2=CC=CC=C2)SCC3=NC(=NO3)C4=C(N=CC=C4)SC

DOS

IR

Vibrations