Geometry & MOs

Info

ID:

391762

PubChem CID:

135009315

Reduced:

N4O11C48H64 (1)

Stoich.:

A4B11C48D64 (1)

Weight, g/mol:

636.0995

ΔHf, kcal/mol:

-472.79

Dipole, Da:

1.9

IP(EA), eV:

 -9.36(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[[2-(2-bromo-6-methoxy-6-oxohexanoyl)-6-methoxyphenyl]methyl]-3-methoxy-9,10-dioxoanthracene-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N(C)CC(=O)O[C@H](CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)OC(=O)CN(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations