Geometry & MOs

Info

ID:	175100
PubChem CID:	75855762
Reduced:	O2N3S3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	355.116821
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	2.23
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetate

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=CS1)SC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2CC=C

DOS

IR

Vibrations