Geometry & MOs

Info

ID:	191642
PubChem CID:	78172795
Reduced:	ClSP3N8O19C40H54 (1)
Stoich.:	ABC3D8E19F40G54 (1)
Weight, g/mol:	273.063722
ΔH_f, kcal/mol:	-937.0
Dipole, Da:	7.04
IP(EA), eV:	-9.16(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-6-nitro-3,4-dihydro-1H-anthracen-2-one

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C)(C)OC4=CC=C(C=C4)CCNC(=O)C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations