Geometry & MOs

Info

ID:

189904

PubChem CID:

77921557

Reduced:

SN6O7C38H58 (1)

Stoich.:

AB6C7D38E58 (1)

Weight, g/mol:

687.36657

ΔHf, kcal/mol:

-304.43

Dipole, Da:

2.27

IP(EA), eV:

 -8.99(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[1-methoxy-3-[methoxymethyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations