Geometry & MOs

Info

ID:	391129
PubChem CID:	135002994
Reduced:	NO2C8H9 (3)
Stoich.:	AB2C8D9 (3)
Weight, g/mol:	402.299008
ΔH_f, kcal/mol:	-129.1
Dipole, Da:	11.52
IP(EA), eV:	-8.4(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butylnonan-5-ylsulfanyl(nonylsulfanyl)methanone

Drug info:

PubChemData

Smile

CC1=CN(C(C2=CC(=C(C=C12)OC)OC)C(=O)NC(C)(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations