Geometry & MOs

Info

ID:

296811

PubChem CID:

117594321

Reduced:

ClSN2O6C40H43 (1)

Stoich.:

ABC2D6E40F43 (1)

Weight, g/mol:

455.158017

ΔHf, kcal/mol:

-157.97

Dipole, Da:

3.8

IP(EA), eV:

 -7.95(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC.CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations