Geometry & MOs

Info

ID:

313828

PubChem CID:

126618168

Reduced:

BrFPN3O9C21H26 (1)

Stoich.:

ABCD3E9F21G26 (1)

Weight, g/mol:

648.03979

ΔHf, kcal/mol:

-478.32

Dipole, Da:

10.05

IP(EA), eV:

 -9.68(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R,3R,4S)-4-bromo-5-(2-carboxy-5-methoxyphenyl)-4-chloro-2-[(4-methoxybenzoyl)oxymethyl]oxolan-3-yl]-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)N[P@](=O)(OC[C@@H]1[C@H]([C@]([C@@H](O1)N2C=CC(=O)NC2=O)(F)Br)O)OC3=CC=CC=C3

DOS

IR

Vibrations