Geometry & MOs

Info

ID:	424183
PubChem CID:	135121640
Reduced:	H6C7N14O14 (1)
Stoich.:	A6B7C14D14 (1)
Weight, g/mol:	607.24835
ΔH_f, kcal/mol:	167.9
Dipole, Da:	2.97
IP(EA), eV:	-11.08(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-2-methyl-N-(12-tritylsulfanyldodecyl)propanamide

Drug info:

PubChemData

Smile

C(C1N=C(N=C(N1N[N+](=O)[O-])N=[N+]=[N-])CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations