Geometry & MOs

Info

ID:	216959
PubChem CID:	85087035
Reduced:	SN3O6C11H17 (1)
Stoich.:	AB3C6D11E17 (1)
Weight, g/mol:	319.120843
ΔH_f, kcal/mol:	-210.98
Dipole, Da:	7.07
IP(EA), eV:	-8.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-3-[hydroxy-[(4-phenylphenyl)methyl]amino]prop-2-en-1-one

Drug info:

PubChemData

Smile

C[N+](=C(N)N)C.C1=CC(=C(C=C1C=COS(=O)(=O)[O-])O)O

DOS

IR

Vibrations