Geometry & MOs

Info

ID:	234046
PubChem CID:	92297611
Reduced:	SO4N6C28H28 (1)
Stoich.:	AB4C6D28E28 (1)
Weight, g/mol:	328.131074
ΔH_f, kcal/mol:	-62.01
Dipole, Da:	4.35
IP(EA), eV:	-8.67(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S,4R,4aS,9aS)-4-methoxy-4a-methyl-9,10-dioxo-4,9a-dihydro-1H-anthracen-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N([C@H](C2=CC3=C(C=C2)N=CC=C3)C(=O)NC[C@@H]4CCCO4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations