Geometry & MOs

Info

ID:	180244
PubChem CID:	76604109
Reduced:	SN4O6C25H40 (1)
Stoich.:	AB4C6D25E40 (1)
Weight, g/mol:	544.450498
ΔH_f, kcal/mol:	-296.81
Dipole, Da:	6.84
IP(EA), eV:	-9.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,21,22-tetrazaundecacyclo[18.18.1.14,23.02,32.03,11.05,10.013,21.014,19.022,30.024,29.033,38]tetracontane

Drug info:

PubChemData

Smile

CCCC=CC1CC(=O)NC(C(=O)NC2CSC(C(C(=O)NC(C(=O)O1)C(C)C)NC2=O)C)C(C)C

DOS

IR

Vibrations