Geometry & MOs

Info

ID:

17058

PubChem CID:

482960

Reduced:

S2O5N6C40H54 (1)

Stoich.:

A2B5C6D40E54 (1)

Weight, g/mol:

762.359711

ΔHf, kcal/mol:

-150.94

Dipole, Da:

4.08

IP(EA), eV:

 -8.68(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(CC1=CSC(=N1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

DOS

IR

Vibrations