Geometry & MOs

Info

ID:	68348
PubChem CID:	46508233
Reduced:	OSCl4N5H13C15 (1)
Stoich.:	ABC4D5E13F15 (1)
Weight, g/mol:	412.115853
ΔH_f, kcal/mol:	5.92
Dipole, Da:	3.29
IP(EA), eV:	-8.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenoxy)ethyl 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)C2=NC(=C(C(=C2Cl)N)Cl)Cl)C

DOS

IR

Vibrations