Geometry & MOs

Info

ID:

17060

PubChem CID:

482966

Reduced:

S2O5N7C36H47 (1)

Stoich.:

A2B5C7D36E47 (1)

Weight, g/mol:

721.30801

ΔHf, kcal/mol:

-131.8

Dipole, Da:

3.38

IP(EA), eV:

 -9.14(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CN(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)N

DOS

IR

Vibrations