Geometry & MOs

Info

ID:	43835
PubChem CID:	10321862
Reduced:	BrON4C23H29 (1)
Stoich.:	ABC4D23E29 (1)
Weight, g/mol:	457.151235
ΔH_f, kcal/mol:	-4.86
Dipole, Da:	2.38
IP(EA), eV:	-8.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-3-[4-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-oxopropan-2-yl]oxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N2C=C(C3=C2N=C(N=C3N4CCCC(C4)(C)CO)C)C)C)Br

DOS

IR

Vibrations