Geometry & MOs

Info

ID:	448121
PubChem CID:	135288628
Reduced:	SN2O2F3C19H21 (1)
Stoich.:	AB2C2D3E19F21 (1)
Weight, g/mol:	538.092308
ΔH_f, kcal/mol:	-232.13
Dipole, Da:	1.31
IP(EA), eV:	-8.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-N-(2-oxooxolan-3-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NC3=CC=CC=C3C(F)(F)F)C

DOS

IR

Vibrations