Geometry & MOs

Info

ID:

191767

PubChem CID:

78186401

Reduced:

O7C16H20 (2)

Stoich.:

A7B16C20 (2)

Weight, g/mol:

785.436364

ΔHf, kcal/mol:

-554.25

Dipole, Da:

6.18

IP(EA), eV:

 -8.32(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl] 1-[2-[[2-(2-methylpropoxycarbonylamino)-3-phenylpropanoyl]amino]-3-naphthalen-1-ylpropanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)C(C(=C)CCC23C(C(C(O2)(C(C(O3)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)C4CCCCC4)O)OC(=O)C

DOS

IR

Vibrations