Geometry & MOs

Info

ID:	218052
PubChem CID:	85088797
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	424.134445
ΔH_f, kcal/mol:	-178.37
Dipole, Da:	7.33
IP(EA), eV:	-9.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-2-(furan-2-yl)-6-(phenylmethoxymethyl)cyclohex-3-en-1-ol

Drug info:

PubChemData

Smile

CCCC1(C(N(C1=O)C(=O)NC(C)C2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O)CC

DOS

IR

Vibrations