Geometry & MOs

Info

ID:	379729
PubChem CID:	134461956
Reduced:	O3F6C53H54 (1)
Stoich.:	A3B6C53D54 (1)
Weight, g/mol:	389.175771
ΔH_f, kcal/mol:	-369.72
Dipole, Da:	7.43
IP(EA), eV:	-8.38(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-(ethoxymethyl)pentanoate

Drug info:

PubChemData

Smile

CC(CC(CC(C)C1=CC=C(C=C1)OC2=CC3=CC4=CC=CC=C4C=C3C=C2)C5=CC=C(C=C5)OC6(CC7CCCC(C7)C6)C)C8=CC=C(C=C8)OCC(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations