Geometry & MOs

Info

ID:	433314
PubChem CID:	135173451
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	438.98017
ΔH_f, kcal/mol:	-153.66
Dipole, Da:	8.52
IP(EA), eV:	-9.4(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]prop-2-ene-1-sulfinamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCCOC2=CC=CC3=C2C(=O)N(C3=O)CC(=O)N

DOS

IR

Vibrations