Geometry & MOs

Info

ID:	314083
PubChem CID:	126620363
Reduced:	FO5C31H37 (1)
Stoich.:	AB5C31D37 (1)
Weight, g/mol:	532.99062
ΔH_f, kcal/mol:	-199.74
Dipole, Da:	2.18
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[5-[3-[(3-iodophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCC(=C)C(=O)OCCCCOC1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCCC3CC(=C)C(=C)O3)F

DOS

IR

Vibrations