Geometry & MOs

Info

ID:	36409
PubChem CID:	8006075
Reduced:	BrOSN4H15C17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	66.07
Dipole, Da:	5.52
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

Drug info:

PubChemData

Smile

CSC1=C(C=CC=N1)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

DOS

IR

Vibrations