Geometry & MOs

Info

ID:	20905
PubChem CID:	586291
Reduced:	NSO4H9C13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	275.025229
ΔH_f, kcal/mol:	-17.2
Dipole, Da:	9.43
IP(EA), eV:	-9.77(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations