Geometry & MOs

Info

ID:	208450
PubChem CID:	80531538
Reduced:	BrClFSH9C12 (1)
Stoich.:	ABCDE9F12 (1)
Weight, g/mol:	267.012077
ΔH_f, kcal/mol:	-10.62
Dipole, Da:	1.33
IP(EA), eV:	-9.31(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C2=C(C=CS2)Cl)Br)F

DOS

IR

Vibrations