Geometry & MOs

Info

ID:	313723
PubChem CID:	126617339
Reduced:	ClFSO2N6C26H30 (1)
Stoich.:	ABCD2E6F26G30 (1)
Weight, g/mol:	517.157246
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	6.7
IP(EA), eV:	-8.65(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-anilino-1,3-thiazol-4-yl)-2-[(4-benzylphenoxy)methyl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC1=NC(=CS1)C2=NC=CC3=C2NC(=NC3=O)COC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations