Geometry & MOs

Info

ID:	159897
PubChem CID:	57288867
Reduced:	N2S2O3C21H24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	632.719903
ΔH_f, kcal/mol:	-27.97
Dipole, Da:	3.85
IP(EA), eV:	-9.17(-2.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-undecyltetratriacontane

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=S)OCC2=NC3=CC=CC=C3C2=S

DOS

IR

Vibrations