Geometry & MOs

Info

ID:	59756
PubChem CID:	24895894
Reduced:	NOSCl2H11C16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	756.61074
ΔH_f, kcal/mol:	5.57
Dipole, Da:	2.7
IP(EA), eV:	-8.92(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-amino-1-[(Z)-octadec-9-enoxy]-3-[2-[(Z)-octadec-9-enoxy]ethyl]hexan-3-yl]azanium;bromide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=CC1=O)SC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations