Geometry & MOs

Info

ID:	146735
PubChem CID:	53740067
Reduced:	Cl2N2O4H12C15 (1)
Stoich.:	A2B2C4D12E15 (1)
Weight, g/mol:	526.478353
ΔH_f, kcal/mol:	-66.43
Dipole, Da:	7.1
IP(EA), eV:	-9.25(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triacontan-13-ylsulfanyl propanoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)NC2=CC(=C(C=C2)Cl)Cl)O

DOS

IR

Vibrations