Geometry & MOs

Info

ID:

160380

PubChem CID:

57309728

Reduced:

S2N3O6H23C28 (1)

Stoich.:

A2B3C6D23E28 (1)

Weight, g/mol:

443.267173

ΔHf, kcal/mol:

-122.63

Dipole, Da:

3.92

IP(EA), eV:

 -9.34(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(4S,5S)-4-(cyclohexylmethyl)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-5-yl]methyl]-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)N(C2=CC=C(C=C2)S(=O)(=O)C)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CN=CC=C5

DOS

IR

Vibrations