Geometry & MOs

Info

ID:	38023
PubChem CID:	8026446
Reduced:	FON2S2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	341.148789
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	4.15
IP(EA), eV:	-8.59(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NC(=CS3)C

DOS

IR

Vibrations