Geometry & MOs

Info

ID:	434232
PubChem CID:	135174465
Reduced:	Cl2F3N3O4C26H26 (1)
Stoich.:	A2B3C3D4E26F26 (1)
Weight, g/mol:	584.254732
ΔH_f, kcal/mol:	-270.74
Dipole, Da:	5.58
IP(EA), eV:	-9.88(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-fluoroanilino)-6-[bis[(4-methoxyphenyl)methyl]amino]-9-propan-2-yl-7H-purin-8-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NC4CN(C4)C(=O)OC(C)(C)C

DOS

IR

Vibrations