Geometry & MOs

Info

ID:	188151
PubChem CID:	77674155
Reduced:	FNSO6C21H24 (1)
Stoich.:	ABCD6E21F24 (1)
Weight, g/mol:	516.149908
ΔH_f, kcal/mol:	-261.1
Dipole, Da:	12.67
IP(EA), eV:	-9.57(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[(2-benzyl-1-methylbenzimidazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-3-ol;hydrochloride

Drug info:

PubChemData

Smile

CC1CN(C(C(O1)C)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=CC(=C3F)C

DOS

IR

Vibrations