Geometry & MOs

Info

ID:	425853
PubChem CID:	135128288
Reduced:	OS2N6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	99.87
Dipole, Da:	5.14
IP(EA), eV:	-8.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)N(C)C4CCC(CC4)(C)N=O)SC=C3

DOS

IR

Vibrations