Geometry & MOs

Info

ID:

325123

PubChem CID:

126681101

Reduced:

ClFSN5O6C34H41 (1)

Stoich.:

ABCD5E6F34G41 (1)

Weight, g/mol:

510.188983

ΔHf, kcal/mol:

-224.1

Dipole, Da:

4.09

IP(EA), eV:

 -8.98(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[4-(acetyloxymethyl)phenoxy]-[2,6-bis(hydroxymethyl)-4-methoxyphenyl]methoxy]phenyl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)OC1=NC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CCC4CNC5CCCS(=O)(=O)N4C5)NC(=O)OC

DOS

IR

Vibrations