Geometry & MOs

Info

ID:	229572
PubChem CID:	87568063
Reduced:	PF2N2O7C25H33 (1)
Stoich.:	AB2C2D7E25F33 (1)
Weight, g/mol:	296.110732
ΔH_f, kcal/mol:	-447.02
Dipole, Da:	4.36
IP(EA), eV:	-9.68(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butane-1,4-diol;2-methoxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)C[C@@H](C(=O)NCCCO)NC(=O)OCC2=CC=CC=C2)(F)F)OCC

DOS

IR

Vibrations