Geometry & MOs

Info

ID:	299794
PubChem CID:	117695585
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	564.22718
ΔH_f, kcal/mol:	-59.85
Dipole, Da:	4.56
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[4-[[2-[2-(fluoromethyl)-4-methoxyphenyl]acetyl]amino]benzoyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CNCC1=CC2=C(C=C1)N=CN2

DOS

IR

Vibrations