Geometry & MOs

Info

ID:	170059
PubChem CID:	75190941
Reduced:	SN2O3C28H34 (1)
Stoich.:	AB2C3D28E34 (1)
Weight, g/mol:	486.19032
ΔH_f, kcal/mol:	-90.61
Dipole, Da:	8.94
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-ethyl-4-[[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]quinoxaline-1,4-diium-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C3CCCCC3SC(=CC4=CC=C(C=C4)C(=O)NCCCOC)C2=O

DOS

IR

Vibrations