Geometry & MOs

Info

ID:	65446
PubChem CID:	38671657
Reduced:	BrSN3O3H12C15 (1)
Stoich.:	ABC3D3E12F15 (1)
Weight, g/mol:	396.106984
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	3.78
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)COC(=O)C2=CC3=C(N2)C=CC(=C3)Br

DOS

IR

Vibrations