Geometry & MOs

Info

ID:	313728
PubChem CID:	126617346
Reduced:	ClFSO3N6H22C23 (1)
Stoich.:	ABCD3E6F22G23 (1)
Weight, g/mol:	562.135401
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	6.82
IP(EA), eV:	-8.99(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-[(1-benzylpyrrolidin-3-yl)amino]-1,3-thiazol-4-yl]-2-[(3-chloro-4-fluorophenoxy)methyl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1COCCN1CCNC2=NC(=CS2)C3=NC=CC4=C3NC(=NC4=O)COC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations