Geometry & MOs

Info

ID:	125817
PubChem CID:	50940451
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	318.122909
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	7.48
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC(=C2)S(=O)(=O)NC3CCCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations