Geometry & MOs

Info

ID:	425441
PubChem CID:	135126331
Reduced:	ISF2N2O2C10H13 (1)
Stoich.:	ABC2D2E2F10G13 (1)
Weight, g/mol:	516.15553
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	2.49
IP(EA), eV:	-9.71(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[2-(dimethylamino)ethylcarbamoylamino]-1,3-thiazol-5-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)NC)(C1=C(C(=CC(=C1)I)F)F)N

DOS

IR

Vibrations