Geometry & MOs

Info

ID:

15967

PubChem CID:

456602

Reduced:

SN5O5C31H41 (1)

Stoich.:

AB5C5D31E41 (1)

Weight, g/mol:

595.282841

ΔHf, kcal/mol:

-176.75

Dipole, Da:

8.56

IP(EA), eV:

 -9.39(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-(dimethylcarbamoylamino)-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)O)NC(=O)N(C)C

DOS

IR

Vibrations