Geometry & MOs

Info

ID:	80120
PubChem CID:	49833086
Reduced:	SF3O5N7H26C27 (1)
Stoich.:	AB3C5D7E26F27 (1)
Weight, g/mol:	358.068867
ΔH_f, kcal/mol:	-260.58
Dipole, Da:	10.64
IP(EA), eV:	-9.27(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-hydroxybenzoyl) butanedioate

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC=C(C(=C1)C2=NC(=CS2)C(F)(F)F)C3=CC4=C(N=C3)N(C=C(C4=O)C(=O)O)CCN5CCOCC5

DOS

IR

Vibrations