Geometry & MOs

Info

ID:	64227
PubChem CID:	29198597
Reduced:	ClSN2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	498.157306
ΔH_f, kcal/mol:	-152.09
Dipole, Da:	7.2
IP(EA), eV:	-9.16(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)OC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2

DOS

IR

Vibrations