Geometry & MOs

Info

ID:	172906
PubChem CID:	75570291
Reduced:	BrClFNO2S2H14C19 (1)
Stoich.:	ABCDE2F2G14H19 (1)
Weight, g/mol:	567.01136
ΔH_f, kcal/mol:	-47.44
Dipole, Da:	4.13
IP(EA), eV:	-8.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-anilino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-iodo-6-methoxyphenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=C(C=CC=C3Cl)F)SC1=S

DOS

IR

Vibrations