Geometry & MOs

Info

ID:	68379
PubChem CID:	46508303
Reduced:	SN3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	471.151824
ΔH_f, kcal/mol:	-85.29
Dipole, Da:	3.89
IP(EA), eV:	-8.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3=C(C4=CC=CC=C4N=C3COC)C

DOS

IR

Vibrations