Geometry & MOs

Info

ID:	121882
PubChem CID:	50785185
Reduced:	BrFSO3N5H15C17 (1)
Stoich.:	ABCD3E5F15G17 (1)
Weight, g/mol:	399.136511
ΔH_f, kcal/mol:	-84.41
Dipole, Da:	4.11
IP(EA), eV:	-9.18(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC3=C(S2)C(=O)N(C=N3)CC(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations