Geometry & MOs

Info

ID:	437743
PubChem CID:	135226972
Reduced:	BrClOSN2C16H22 (1)
Stoich.:	ABCDE2F16G22 (1)
Weight, g/mol:	419.203134
ΔH_f, kcal/mol:	3.05
Dipole, Da:	3.3
IP(EA), eV:	-9.1(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-cyclopropylsulfanyl-2-(spiro[2.5]octan-6-ylamino)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)S(=N)(=O)C3(CC3)Cl)Br

DOS

IR

Vibrations