Geometry & MOs

Info

ID:	68354
PubChem CID:	46508243
Reduced:	F2N3O6H19C21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	402.126338
ΔH_f, kcal/mol:	-242.85
Dipole, Da:	5.72
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(methylcarbamoylamino)-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=NC(=NO1)COC2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3OC(F)F

DOS

IR

Vibrations