Geometry & MOs

Info

ID:

44697

PubChem CID:

10505435

Reduced:

N2O4C31H32 (1)

Stoich.:

A2B4C31D32 (1)

Weight, g/mol:

496.203193

ΔHf, kcal/mol:

-18.62

Dipole, Da:

3.49

IP(EA), eV:

 -9.12(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S)-2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-1-(1,3-thiazol-2-yl)propyl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2C[C@@H]3[C@]4(CC[C@@H]([C@@]3(C2)C(=O)NOC)C5=CC=CC=C54)C6=CC=CC=C6

DOS

IR

Vibrations