Geometry & MOs

Info

ID:	235570
PubChem CID:	92710063
Reduced:	SN2O2C8H9 (2)
Stoich.:	AB2C2D8E9 (2)
Weight, g/mol:	427.087178
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	7.27
IP(EA), eV:	-10.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1[C@H]2CCS(=O)(=O)C2)C)S(=O)(=O)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations