Geometry & MOs

Info

ID:	229407
PubChem CID:	87567566
Reduced:	FN6O13C48H71 (1)
Stoich.:	AB6C13D48E71 (1)
Weight, g/mol:	286.214409
ΔH_f, kcal/mol:	-622.08
Dipole, Da:	13.24
IP(EA), eV:	-8.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylbutyl)-2,7-dimethyloctanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(C(OC(=O)CCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)F)OC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4)O

DOS

IR

Vibrations