Geometry & MOs

Info

ID:	348495
PubChem CID:	127273606
Reduced:	ClS2O3N4C12H13 (1)
Stoich.:	AB2C3D4E12F13 (1)
Weight, g/mol:	338.11611
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	6.46
IP(EA), eV:	-8.89(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxoethyl]-1,2-dimethylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=NN2C1)C(=O)CNS(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations