Geometry & MOs

Info

ID:	190508
PubChem CID:	78013747
Reduced:	FIN2O4C22H26 (1)
Stoich.:	ABC2D4E22F26 (1)
Weight, g/mol:	612.14965
ΔH_f, kcal/mol:	-151.25
Dipole, Da:	3.42
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl-pentanoylamino]-4-hydroxy-N-(2-hydroxyethyl)-3-(2-iodophenoxy)cyclohexene-1-carboxamide

Drug info:

PubChemData

Smile

C1C=C(C=CC1F)CNC2CC(=CC(C2O)OC3=CC=CC=C3I)C(=O)NCCO

DOS

IR

Vibrations