Geometry & MOs

Info

ID:	314598
PubChem CID:	126622396
Reduced:	O2F3N8H21C26 (1)
Stoich.:	A2B3C8D21E26 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-65.97
Dipole, Da:	9.17
IP(EA), eV:	-9.06(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-(4-phenylphenyl)pentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=C(C(=C1)NC2=C3C(=NC(=N2)C4=NC(=CC=C4)C(F)F)N(C=N3)CC5=CC=C(C=C5)OC)F

DOS

IR

Vibrations