Geometry & MOs

Info

ID:	169285
PubChem CID:	75084687
Reduced:	ClSN3O4H14C18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	420.091728
ΔH_f, kcal/mol:	-44.19
Dipole, Da:	7.68
IP(EA), eV:	-9.65(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-pyridin-3-ylprop-2-enoate;2,4,6-trinitrophenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(O2)NC(=O)C=CC3=CC=CC=C3Cl

DOS

IR

Vibrations