Geometry & MOs

Info

ID:	127465
PubChem CID:	51002990
Reduced:	SCl2O2N4H16C18 (1)
Stoich.:	AB2C2D4E16F18 (1)
Weight, g/mol:	527.89695
ΔH_f, kcal/mol:	6.73
Dipole, Da:	4.64
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,6Z,8E,13Z,15Z)-6,14,16-tribromo-5-hydroxy-10-oxohexadeca-6,8,13,15-tetraenoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)Cl)S(=O)(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations