Geometry & MOs

Info

ID:	263925
PubChem CID:	103407851
Reduced:	FOSCl2H7C12 (1)
Stoich.:	ABCD2E7F12 (1)
Weight, g/mol:	295.043378
ΔH_f, kcal/mol:	-51.03
Dipole, Da:	4.42
IP(EA), eV:	-9.22(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(5-propan-2-yloxypyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)C2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations