Geometry & MOs

Info

ID:	425850
PubChem CID:	135128285
Reduced:	OSN7C23H27 (1)
Stoich.:	ABC7D23E27 (1)
Weight, g/mol:	452.235831
ΔH_f, kcal/mol:	64.04
Dipole, Da:	7.88
IP(EA), eV:	-8.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)NC4CCC(CC4)(C)O)N(C=C3)CC5=CN=CC=C5

DOS

IR

Vibrations