Geometry & MOs

Info

ID:	180381
PubChem CID:	76625067
Reduced:	O7N8C40H50 (1)
Stoich.:	A7B8C40D50 (1)
Weight, g/mol:	570.157056
ΔH_f, kcal/mol:	-237.72
Dipole, Da:	5.78
IP(EA), eV:	-8.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,2,4,5,7,8-hexathiaspiro[2.5]octan-6-ylamino)-6-oxoheptyl]tetradecanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6C(CCN6C(=O)C(C(C)C)NC(=O)OC)O)NC(=O)OC

DOS

IR

Vibrations