Geometry & MOs

Info

ID:	437826
PubChem CID:	135227112
Reduced:	ClSO2N4C24H29 (1)
Stoich.:	ABC2D4E24F29 (1)
Weight, g/mol:	553.07185
ΔH_f, kcal/mol:	-6.03
Dipole, Da:	5.58
IP(EA), eV:	-8.42(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-dimethyl-4-[2-[(4-methylcyclohexyl)amino]-5-methylsulfanylphenyl]-7-oxopyrrolo[2,3-c]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)S(=N)(=O)C3(CC3)Cl)C4=CN(C(=O)C5=C4C=CN5)C

DOS

IR

Vibrations