Geometry & MOs

Info

ID:	447004
PubChem CID:	135279459
Reduced:	FN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	344.0558
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	6.19
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)C(=O)O)NC3=NC=CC4=C3N(CCO4)CC5=CC(=CC=C5)F

DOS

IR

Vibrations