Geometry & MOs

Info

ID:	447863
PubChem CID:	135286422
Reduced:	OSN6H22C30 (1)
Stoich.:	ABC6D22E30 (1)
Weight, g/mol:	257.099811
ΔH_f, kcal/mol:	195.52
Dipole, Da:	7.84
IP(EA), eV:	-8.45(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(dimethylamino)-1-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-fluoroprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)OCC7=CC=CC=C7)/C=C32

DOS

IR

Vibrations