Geometry & MOs

Info

ID:	49333
PubChem CID:	11532865
Reduced:	FN2O2H11C12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	468.180898
ΔH_f, kcal/mol:	-180.72
Dipole, Da:	5.34
IP(EA), eV:	-9.84(-1.13)
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-(1-methylpyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1F)C2=CC(=C(C=C2)CNC(=O)CCCNC(=O)C3=CN=CN=C3)F

DOS

IR

Vibrations