Geometry & MOs

Info

ID:	59723
PubChem CID:	24894937
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	482.156575
ΔH_f, kcal/mol:	-148.8
Dipole, Da:	4.33
IP(EA), eV:	-8.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[4-[2-amino-6-(2,2,2-trifluoro-1-naphthalen-2-ylethoxy)pyrimidin-4-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)NC2=CC=CC3=C2C=CN(C3=O)CC4(CCCCC4)O

DOS

IR

Vibrations