Geometry & MOs

Info

ID:	437796
PubChem CID:	135227081
Reduced:	BrFSO2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	367.171834
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	3.55
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethylamino)-5-propan-2-ylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1COC(O1)CSC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations