Geometry & MOs

Info

ID:	41709
PubChem CID:	8146895
Reduced:	SN4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	353.150132
ΔH_f, kcal/mol:	82.85
Dipole, Da:	4.08
IP(EA), eV:	-8.2(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[(7,8-dioxo-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)methyl]-ethylazanium

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=S)N(C(=N2)C)C3=CC=CC=C3C

DOS

IR

Vibrations