Geometry & MOs

Info

ID:	231968
PubChem CID:	87575025
Reduced:	SO4C32H56 (1)
Stoich.:	AB4C32D56 (1)
Weight, g/mol:	344.121966
ΔH_f, kcal/mol:	-267.27
Dipole, Da:	3.01
IP(EA), eV:	-9.15(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanoprop-2-enoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OCCCCOS(=O)(=O)C)C)C

DOS

IR

Vibrations