Geometry & MOs

Info

ID:	185135
PubChem CID:	77260659
Reduced:	F4N5O6C37H45 (1)
Stoich.:	A4B5C6D37E45 (1)
Weight, g/mol:	327.085521
ΔH_f, kcal/mol:	-444.69
Dipole, Da:	10.68
IP(EA), eV:	-8.78(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-cyanophenoxy)-3-(3-nitrophenyl)propanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC1(CC(C2=C(C1)C3=C(N2)C(=CC=C3)C(F)(F)F)C(CC(C)C(=O)N)N4CCOCC4)C(=O)O)NC(=O)CC5=CC=CC=C5F

DOS

IR

Vibrations