Geometry & MOs

Info

ID:	20897
PubChem CID:	586283
Reduced:	NSO4H11C14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	289.040879
ΔH_f, kcal/mol:	-22.21
Dipole, Da:	3.27
IP(EA), eV:	-9.54(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(=O)C=CC2=CC=CS2)[N+](=O)[O-]

DOS

IR

Vibrations