Geometry & MOs

Info

ID:	425826
PubChem CID:	135128190
Reduced:	OS2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	529.19298
ΔH_f, kcal/mol:	17.67
Dipole, Da:	4.81
IP(EA), eV:	-8.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC3=C(C(=N2)NC4CCC(CC4)(C)O)SC=C3

DOS

IR

Vibrations