Geometry & MOs

Info

ID:	242763
PubChem CID:	99206151
Reduced:	BrSO3N4H17C18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	449.132174
ΔH_f, kcal/mol:	-17.58
Dipole, Da:	12.26
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NNC(=O)C3=NNC(=C3Br)C

DOS

IR

Vibrations