Geometry & MOs

Info

ID:	149153
PubChem CID:	53788825
Reduced:	O7C24H34 (1)
Stoich.:	A7B24C34 (1)
Weight, g/mol:	349.090152
ΔH_f, kcal/mol:	-325.0
Dipole, Da:	3.99
IP(EA), eV:	-9.39(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-phosphoroso-3-(quinolin-2-ylsulfanylmethyl)hexanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)O)C)O)O

DOS

IR

Vibrations