Geometry & MOs

Info

ID:	123232
PubChem CID:	50838805
Reduced:	S2N3O5H19C20 (1)
Stoich.:	A2B3C5D19E20 (1)
Weight, g/mol:	466.131091
ΔH_f, kcal/mol:	-99.35
Dipole, Da:	5.23
IP(EA), eV:	-9.01(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(C=C2)S(=O)(=O)C3=CC=CC=C3)OC

DOS

IR

Vibrations