Geometry & MOs

Info

ID:	390597
PubChem CID:	134999911
Reduced:	NOSC24H29 (1)
Stoich.:	ABCD24E29 (1)
Weight, g/mol:	332.27153
ΔH_f, kcal/mol:	1.58
Dipole, Da:	2.32
IP(EA), eV:	-8.15(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-tridecylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C(C2=CC=CC=C2C1)C/C(=N\[S@](=O)C(C)(C)C)/C3=CC=CC=C3)C

DOS

IR

Vibrations