Geometry & MOs

Info

ID:	231033
PubChem CID:	87572489
Reduced:	O2N4H24C29 (1)
Stoich.:	A2B4C24D29 (1)
Weight, g/mol:	397.055484
ΔH_f, kcal/mol:	105.63
Dipole, Da:	3.19
IP(EA), eV:	-8.33(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(5-formylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(C2)C3=C(C(=C4C(=C3)C5=CC=CC=C5N4)C(=O)N=O)C6=CC=CC=C6

DOS

IR

Vibrations