Geometry & MOs

Info

ID:	437672
PubChem CID:	135226837
Reduced:	ClOSN5C24H30 (1)
Stoich.:	ABCD5E24F30 (1)
Weight, g/mol:	551.0562
ΔH_f, kcal/mol:	15.14
Dipole, Da:	5.54
IP(EA), eV:	-8.22(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-methyl-4-[5-methylsulfanyl-2-(spiro[2.5]octan-6-ylamino)phenyl]-7-oxopyrrolo[2,3-c]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)SN(C4(CC4)Cl)N)NC5CCCCC5)C

DOS

IR

Vibrations