Geometry & MOs

Info

ID:	224821
PubChem CID:	85411833
Reduced:	N2O3C22H22 (2)
Stoich.:	A2B3C22D22 (2)
Weight, g/mol:	270.108979
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	1.74
IP(EA), eV:	-8.77(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-2-[(4-methylphenyl)sulfinylmethyl]hex-5-en-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C=CC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CC4=CC=CC=C4)N5C=CC=C(C5=O)NC(=O)C

DOS

IR

Vibrations