Geometry & MOs

Info

ID:	79262
PubChem CID:	49747718
Reduced:	SN2O2C13H15 (2)
Stoich.:	AB2C2D13E15 (2)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	7.32
IP(EA), eV:	-8.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C(=O)NC2=CC3=C(CCCN3S(=O)(=O)C4=CC=CS4)C=C2)N(C)C

DOS

IR

Vibrations