Geometry & MOs

Info

ID:	197573
PubChem CID:	78978824
Reduced:	NSCl2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-142.36
Dipole, Da:	2.63
IP(EA), eV:	-9.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[prop-2-enyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC=C)S(=O)(=O)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations