Geometry & MOs

Info

ID:	358982
PubChem CID:	127296873
Reduced:	NSO2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-158.08
Dipole, Da:	7.9
IP(EA), eV:	-8.68(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopropyl-2-pyrimidin-2-ylpyrazol-3-yl)-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=CC(=C2)C(=O)NCCS(=O)(=O)N3CCSCC3

DOS

IR

Vibrations