Geometry & MOs

Info

ID:	20896
PubChem CID:	586282
Reduced:	ClNSO4H8C13 (1)
Stoich.:	ABCD4E8F13 (1)
Weight, g/mol:	308.986257
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	8.9
IP(EA), eV:	-9.78(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-nitrophenyl) 3-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=CC(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations