Geometry & MOs

Info

ID:	228918
PubChem CID:	87566234
Reduced:	N2O2F7H23C26 (1)
Stoich.:	A2B2C7D23E26 (1)
Weight, g/mol:	382.220283
ΔH_f, kcal/mol:	-391.35
Dipole, Da:	5.14
IP(EA), eV:	-9.72(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxybutanedioic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

Drug info:

PubChemData

Smile

CNC(=O)[C@H](C1=CC=CC=C1)N[C@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)F)OC(F)(F)F

DOS

IR

Vibrations