Geometry & MOs

Info

ID:

17057

PubChem CID:

482941

Reduced:

SN6O6C37H48 (1)

Stoich.:

AB6C6D37E48 (1)

Weight, g/mol:

704.335604

ΔHf, kcal/mol:

-167.38

Dipole, Da:

4.05

IP(EA), eV:

 -9.1(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,2-oxazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(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)C1=NC(=CS1)CN(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=CC=NO4)O

DOS

IR

Vibrations