Geometry & MOs

Info

ID:	317398
PubChem CID:	126637228
Reduced:	ClNO2S2C8H12 (1)
Stoich.:	ABC2D2E8F12 (1)
Weight, g/mol:	415.119988
ΔH_f, kcal/mol:	-72.94
Dipole, Da:	2.88
IP(EA), eV:	-9.51(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)CC1=CC=C(S1)Cl

DOS

IR

Vibrations