Geometry & MOs

Info

ID:	343644
PubChem CID:	127266820
Reduced:	SO3N5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	347.115107
ΔH_f, kcal/mol:	-82.11
Dipole, Da:	4.64
IP(EA), eV:	-9.02(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]propanedioate

Drug info:

PubChemData

Smile

CCN1C=CN=C1C(C)NS(=O)(=O)C2=CN(C(=C2)C(=O)NC)C

DOS

IR

Vibrations