Geometry & MOs

Info

ID:

184320

PubChem CID:

77145508

Reduced:

BrO4C17H17 (1)

Stoich.:

AB4C17D17 (1)

Weight, g/mol:

1036.308189

ΔHf, kcal/mol:

-120.94

Dipole, Da:

5.55

IP(EA), eV:

 -9.96(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-[[6-anilino-4-benzylsulfanyl-3-(2-methylphenyl)-4H-1,3,5-thiadiazin-2-ylidene]amino]-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(CC(C1C2=CC(=CC=C2)Br)C=O)C=O

DOS

IR

Vibrations