Geometry & MOs

Info

ID:	142686
PubChem CID:	53076047
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	412.258674
ΔH_f, kcal/mol:	-4.31
Dipole, Da:	8.26
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[11-(4-methoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)S(=O)(=O)NCC3=CN=CC=C3)C

DOS

IR

Vibrations