Geometry & MOs

Info

ID:	391962
PubChem CID:	135011401
Reduced:	NPSO6C26H34 (1)
Stoich.:	ABCD6E26F34 (1)
Weight, g/mol:	517.168796
ΔH_f, kcal/mol:	-262.11
Dipole, Da:	4.41
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-diethoxyphosphoryl-1-phenylprop-1-en-2-yl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=CC=C1)(/C(=C\2/CN(CC2=CC)S(=O)(=O)C3=CC=C(C=C3)C)/C)O)OCC

DOS

IR

Vibrations