Geometry & MOs

Info

ID:	235572
PubChem CID:	92710065
Reduced:	S2N3O6C17H21 (1)
Stoich.:	A2B3C6D17E21 (1)
Weight, g/mol:	427.087178
ΔH_f, kcal/mol:	-208.67
Dipole, Da:	3.31
IP(EA), eV:	-9.14(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[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=C3C(=O)OC

DOS

IR

Vibrations