Geometry & MOs

Info

ID:	28166
PubChem CID:	825948
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-58.53
Dipole, Da:	5.46
IP(EA), eV:	-9.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-ethoxy-4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations