Geometry & MOs

Info

ID:	404267
PubChem CID:	135065634
Reduced:	F3N4O4H21C32 (1)
Stoich.:	A3B4C4D21E32 (1)
Weight, g/mol:	386.043627
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	2.81
IP(EA), eV:	-9.76(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-3-acetyloxy-3-[2-(2,5-dichlorophenyl)pyrazol-3-yl]-2-hydroxypropyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)C#N

DOS

IR

Vibrations