Geometry & MOs

Info

ID:	146782
PubChem CID:	53748824
Reduced:	SO2N3C35H35 (1)
Stoich.:	AB2C3D35E35 (1)
Weight, g/mol:	312.269125
ΔH_f, kcal/mol:	26.81
Dipole, Da:	4.95
IP(EA), eV:	-9.21(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-naphthalen-1-yl-octylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2C(S[C@@H]3N2C(=O)C3NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C)C

DOS

IR

Vibrations