Geometry & MOs

Info

ID:

322979

PubChem CID:

126671671

Reduced:

ClS2O6N9C48H54 (1)

Stoich.:

AB2C6D9E48F54 (1)

Weight, g/mol:

464.198108

ΔHf, kcal/mol:

-82.87

Dipole, Da:

9.72

IP(EA), eV:

 -9.1(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[5-[(1S)-1-[[(S)-tert-butylsulfinyl]amino]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-methyl-1,2-oxazol-4-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCCOC4=NOC(=C4)[C@@H](C(C)C)C(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C8=CC=C(C=C8)Cl)C

DOS

IR

Vibrations