Geometry & MOs

Info

ID:	447561
PubChem CID:	135283872
Reduced:	BrClON2C9H10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	487.167811
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	4.39
IP(EA), eV:	-9.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-3-yl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(N=C(C=C1)Br)Cl

DOS

IR

Vibrations