Geometry & MOs

Info

ID:	320331
PubChem CID:	126659538
Reduced:	FNO2C27H32 (1)
Stoich.:	ABC2D27E32 (1)
Weight, g/mol:	419.149951
ΔH_f, kcal/mol:	-108.81
Dipole, Da:	7.07
IP(EA), eV:	-8.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanoyloxymethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2[C@@H](C[C@@H]3CCCC(C3[C@@H]2/C=C/C4=CC=C(CN4)C5=CC(=CC=C5)F)C)C(=O)O1

DOS

IR

Vibrations