Geometry & MOs

Info

ID:	425847
PubChem CID:	135128281
Reduced:	O2S2N5C21H27 (1)
Stoich.:	A2B2C5D21E27 (1)
Weight, g/mol:	466.251481
ΔH_f, kcal/mol:	-22.79
Dipole, Da:	6.76
IP(EA), eV:	-8.37(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-[methyl-(1-methylpiperidin-4-yl)amino]anilino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CC(=CS4)C(=O)NCCOC

DOS

IR

Vibrations