Geometry & MOs

Info

ID:	168535
PubChem CID:	74983257
Reduced:	FOSN9C20H22 (1)
Stoich.:	ABCD9E20F22 (1)
Weight, g/mol:	415.381415
ΔH_f, kcal/mol:	52.85
Dipole, Da:	3.31
IP(EA), eV:	-9.01(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenyl)hydroxylamine

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=CC=CC(=N3)C#N)N)N4CC[C@H]([C@@H](CC4)F)N

DOS

IR

Vibrations