Geometry & MOs

Info

ID:	141700
PubChem CID:	52918508
Reduced:	FN3O4H26C27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	538.162803
ΔH_f, kcal/mol:	-149.98
Dipole, Da:	5.15
IP(EA), eV:	-9.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations