Geometry & MOs

Info

ID:	170489
PubChem CID:	75241458
Reduced:	N3O3C13H18 (2)
Stoich.:	A3B3C13D18 (2)
Weight, g/mol:	1302.182589
ΔH_f, kcal/mol:	-232.58
Dipole, Da:	5.45
IP(EA), eV:	-9.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)propane-1,3-diol

Drug info:

PubChemData

Smile

CCC(C(=O)C(=O)NCCCN1C=CC(=NC1=O)N)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations