Geometry & MOs

Info

ID:	128938
PubChem CID:	51063903
Reduced:	ClN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	311.969559
ΔH_f, kcal/mol:	-38.31
Dipole, Da:	2.91
IP(EA), eV:	-9.45(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-sulfonyl chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C=CC(=CC2=N1)Cl

DOS

IR

Vibrations