Geometry & MOs

Info

ID:	313864
PubChem CID:	126618237
Reduced:	SN4O6H18C19 (1)
Stoich.:	AB4C6D18E19 (1)
Weight, g/mol:	491.264488
ΔH_f, kcal/mol:	-88.66
Dipole, Da:	6.03
IP(EA), eV:	-9.15(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-[5-amino-4-[3-(dimethylamino)propylamino]-2-methoxyanilino]pyrimidin-4-yl]oxyazetidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CN(C2=C1C=C(C=N2)/C=C/C(=O)NO)S(=O)(=O)C3=CC=CC(=C3)/C=C/C(=O)NO

DOS

IR

Vibrations