Geometry & MOs

Info

ID:	235574
PubChem CID:	92710069
Reduced:	ClS2N3O4C16H20 (1)
Stoich.:	AB2C3D4E16F20 (1)
Weight, g/mol:	426.049019
ΔH_f, kcal/mol:	-138.58
Dipole, Da:	5.41
IP(EA), eV:	-9.26(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]sulfonylamino]phenyl] thiocyanate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NS(=O)(=O)C2=C(N(N=C2C)[C@H]3CCS(=O)(=O)C3)C

DOS

IR

Vibrations