Geometry & MOs

Info

ID:	44751
PubChem CID:	10505739
Reduced:	NO5C30H51 (1)
Stoich.:	AB5C30D51 (1)
Weight, g/mol:	505.078443
ΔH_f, kcal/mol:	-301.93
Dipole, Da:	7.58
IP(EA), eV:	-8.82(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-diethyl-2-thianthren-5-ium-5-ylphenyl)acetamide;perchlorate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CC(=O)OCC)CCCCCCCC(=O)O)C

DOS

IR

Vibrations