Geometry & MOs

Info

ID:

190500

PubChem CID:

78012665

Reduced:

N8C23H28 (1)

Stoich.:

A8B23C28 (1)

Weight, g/mol:

745.388448

ΔHf, kcal/mol:

128.71

Dipole, Da:

4.97

IP(EA), eV:

 -8.58(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[1-acetyloxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-fluoro-2-methylphenyl)pentanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C=NC=C2C3=NN(C4=C3C(=NC=N4)N5CCC(C5)N(C)C)C

DOS

IR

Vibrations