Geometry & MOs

Info

ID:	181219
PubChem CID:	76716033
Reduced:	SN6O6C31H44 (1)
Stoich.:	AB6C6D31E44 (1)
Weight, g/mol:	1024.83291
ΔH_f, kcal/mol:	-182.91
Dipole, Da:	7.91
IP(EA), eV:	-9.27(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC4=NC5=C(N4C(C)C)C=NC=C5)C(=O)NS(=O)(=O)N(C)C

DOS

IR

Vibrations