Geometry & MOs

Info

ID:

189903

PubChem CID:

77921556

Reduced:

SN5O9C40H59 (1)

Stoich.:

AB5C9D40E59 (1)

Weight, g/mol:

742.408769

ΔHf, kcal/mol:

-400.16

Dipole, Da:

7.43

IP(EA), eV:

 -9.37(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-[[2-[1-methoxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]propanoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations