Geometry & MOs

Info

ID:	191281
PubChem CID:	78124748
Reduced:	S2N3O5C31H37 (1)
Stoich.:	A2B3C5D31E37 (1)
Weight, g/mol:	248.064886
ΔH_f, kcal/mol:	-141.85
Dipole, Da:	2.5
IP(EA), eV:	-9.3(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)-4,6-difluorophenol

Drug info:

PubChemData

Smile

CCCC(C)CN(CC(C(CCC1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)O)O)S(=O)(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations