Geometry & MOs

Info

ID:	187611
PubChem CID:	77597574
Reduced:	ClSO3N4C26H27 (1)
Stoich.:	ABC3D4E26F27 (1)
Weight, g/mol:	469.255226
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	8.09
IP(EA), eV:	-8.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNCC1=CC=C(C=C1)NC(=C2C3=C(C=C(C=C3)Cl)NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations