Geometry & MOs

Info

ID:	85264
PubChem CID:	49873321
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	385.258541
ΔH_f, kcal/mol:	-78.15
Dipole, Da:	4.35
IP(EA), eV:	-9.33(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(3,5-dimethyl-1-adamantyl)amino]ethyl-(2-sulfanylethyl)amino]ethylamino]ethanethiol

Drug info:

PubChemData

Smile

CC1C2=C(C(=CC=C2)C(=O)N)C(=O)N1C3CCN(CC3)CC4=C(C=NC=C4)F

DOS

IR

Vibrations