Geometry & MOs

Info

ID:

147340

PubChem CID:

53786996

Reduced:

SN3O9H39C49 (1)

Stoich.:

AB3C9D39E49 (1)

Weight, g/mol:

845.240701

ΔHf, kcal/mol:

-125.32

Dipole, Da:

6.07

IP(EA), eV:

 -9.08(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R)-2-benzhydryloxy-1-(3,4-diacetyloxyphenyl)-2-oxoethoxy]imino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C(C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)ON=C(C4=CSC(=N4)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)O)OC(=O)C

DOS

IR

Vibrations