Geometry & MOs

Info

ID:	49486
PubChem CID:	11533102
Reduced:	O2F3N4H23C26 (1)
Stoich.:	A2B3C4D23E26 (1)
Weight, g/mol:	480.180898
ΔH_f, kcal/mol:	-124.65
Dipole, Da:	5.73
IP(EA), eV:	-8.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azetidine-1-carbonyl)-2-fluorophenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)NC3=C4C=CC(=NC4=NC(=C3O2)COC)C5=C(C=CC=N5)C(F)(F)F

DOS

IR

Vibrations