Geometry & MOs

Info

ID:	164358
PubChem CID:	74387723
Reduced:	OF2N2C28H30 (1)
Stoich.:	AB2C2D28E30 (1)
Weight, g/mol:	474.251858
ΔH_f, kcal/mol:	-74.2
Dipole, Da:	3.72
IP(EA), eV:	-8.8(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[3-tert-butyl-4-[2-(4-phenylphenyl)ethoxy]anilino]-3-methyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CC(CC1CN2CCC3(CC2)C=CC4=CC=CC=C34)NC(=O)C=CC5=CC(=CC(=C5)F)F

DOS

IR

Vibrations