Geometry & MOs

Info

ID:	227164
PubChem CID:	87560412
Reduced:	SN2O2F4H18C24 (1)
Stoich.:	AB2C2D4E18F24 (1)
Weight, g/mol:	305.147452
ΔH_f, kcal/mol:	-196.66
Dipole, Da:	3.88
IP(EA), eV:	-8.73(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-isocyanatoethyl (E)-but-2-enoate

Drug info:

PubChemData

Smile

C1CC(C1)(C2=C(C=C(C=C2)C3=CC=C(C=C3)NC4=NC5=C(S4)C=C(C=C5)OC(F)(F)F)F)O

DOS

IR

Vibrations