Geometry & MOs

Info

ID:	437790
PubChem CID:	135227075
Reduced:	BrClFNOSH8C9 (1)
Stoich.:	ABCDEFG8H9 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	2.2
IP(EA), eV:	-9.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(S(=N)(=O)C2=CC(=C(C=C2)F)Br)Cl

DOS

IR

Vibrations