Geometry & MOs

Info

ID:	173136
PubChem CID:	75603543
Reduced:	F2N2O3C28H34 (1)
Stoich.:	A2B2C3D28E34 (1)
Weight, g/mol:	366.085186
ΔH_f, kcal/mol:	-176.82
Dipole, Da:	4.18
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,5-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)CN(C2CC2)C(=O)C3CNCCC34C5=CC(=C(C=C5CO4)F)F)CCOC

DOS

IR

Vibrations