Geometry & MOs

Info

ID:	425845
PubChem CID:	135128279
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	480.140216
ΔH_f, kcal/mol:	-128.45
Dipole, Da:	3.07
IP(EA), eV:	-8.82(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-N-phenyl-1,2-thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)N(CCO)CCO

DOS

IR

Vibrations