Geometry & MOs

Info

ID:

189905

PubChem CID:

77921558

Reduced:

SN5O7C35H53 (1)

Stoich.:

AB5C7D35E53 (1)

Weight, g/mol:

743.392785

ΔHf, kcal/mol:

-281.17

Dipole, Da:

4.56

IP(EA), eV:

 -9.19(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[1-hydroxy-4-methyl-3-[3-methylbutanoyloxymethyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N(COC)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)C(C)C)NC(=O)C3CCCCN3C

DOS

IR

Vibrations