Geometry & MOs

Info

ID:	159993
PubChem CID:	57304344
Reduced:	OCl2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	316.089817
ΔH_f, kcal/mol:	10.13
Dipole, Da:	7.56
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(phenylsulfanylmethyl)phosphoryl]-4-methylhexanoic acid

Drug info:

PubChemData

Smile

CNC1=CC=CC(=N1)CC(C2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CN4

DOS

IR

Vibrations