Geometry & MOs

Info

ID:	68857
PubChem CID:	46509497
Reduced:	FN2O5H25C27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	416.141988
ΔH_f, kcal/mol:	-177.06
Dipole, Da:	2.6
IP(EA), eV:	-8.21(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)COC(=O)CCC2=C(NC3=C2C=C(C=C3)F)C4=CC=CC=C4)OC

DOS

IR

Vibrations