Geometry & MOs

Info

ID:	189462
PubChem CID:	77861422
Reduced:	O4N5C10H15 (1)
Stoich.:	A4B5C10D15 (1)
Weight, g/mol:	482.133216
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	9.7
IP(EA), eV:	-9.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl-pyrimidin-2-ylsulfamoyl]pyrazolidine-4-carboxylate

Drug info:

PubChemData

Smile

COC(CN1C=NC2C1=NC(=NC2=O)N)C(CO)O

DOS

IR

Vibrations