Geometry & MOs

Info

ID:	429301
PubChem CID:	135169270
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	386.99023
ΔH_f, kcal/mol:	-68.99
Dipole, Da:	3.33
IP(EA), eV:	-9.22(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-5-[methyl(prop-2-enyl)carbamoyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H](C2CC2)NC(=O)OC3=CC=CC=C3

DOS

IR

Vibrations