Geometry & MOs

Info

ID:	43038
PubChem CID:	10317955
Reduced:	ClON3H16C23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	386.173578
ΔH_f, kcal/mol:	78.16
Dipole, Da:	5.28
IP(EA), eV:	-8.76(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3R)-3-[dimethyl(phenyl)silyl]-5-methyl-2-phenylsulfanylhexanoate

Drug info:

PubChemData

Smile

C1C2=NC3=CC=CC=C3C(=C2C(=O)N1NC4=CC=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations