Geometry & MOs

Info

ID:

390354

PubChem CID:

134998626

Reduced:

NO2H31C36 (1)

Stoich.:

AB2C31D36 (1)

Weight, g/mol:

418.057648

ΔHf, kcal/mol:

92.59

Dipole, Da:

2.11

IP(EA), eV:

 -8.46(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4R,5S)-2-(4-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazolidin-4-yl]-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=C3[C@@H](N(O[C@@H](C3=C(O2)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations