Geometry & MOs

Info

ID:

334468

PubChem CID:

127253020

Reduced:

SN5O7C35H41 (1)

Stoich.:

AB5C7D35E41 (1)

Weight, g/mol:

552.00559

ΔHf, kcal/mol:

-143.38

Dipole, Da:

1.06

IP(EA), eV:

 -8.59(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[8-(4-bromophenyl)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxofuro[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NCCC1=NC(=NO1)C2=CC=CS2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations