Geometry & MOs

Info

ID:	68410
PubChem CID:	46508360
Reduced:	ClOSF3N4H16C23 (1)
Stoich.:	ABCD3E4F16G23 (1)
Weight, g/mol:	471.092116
ΔH_f, kcal/mol:	-74.49
Dipole, Da:	5.75
IP(EA), eV:	-8.46(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CSC2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations