Geometry & MOs

Info

ID:	196205
PubChem CID:	78797777
Reduced:	ClOSN5H18C20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	375.088892
ΔH_f, kcal/mol:	87.8
Dipole, Da:	6.34
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

COCCN1C(=NN=C1SCC2=CC3=CC=CC=C3N=C2Cl)C4=CC=NC=C4

DOS

IR

Vibrations