Geometry & MOs

Info

ID:	320333
PubChem CID:	126659549
Reduced:	NSO3C29H29 (1)
Stoich.:	ABC3D29E29 (1)
Weight, g/mol:	409.144471
ΔH_f, kcal/mol:	-23.87
Dipole, Da:	6.51
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=NO3)C)CCSCC4=CC=CC=C4

DOS

IR

Vibrations