Geometry & MOs

Info

ID:

423302

PubChem CID:

135119254

Reduced:

O6N7C38H47 (1)

Stoich.:

A6B7C38D47 (1)

Weight, g/mol:

426.215472

ΔHf, kcal/mol:

-201.0

Dipole, Da:

11.07

IP(EA), eV:

 -9.2(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(3-butanoylindol-1-yl)acetyl]-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)C3=CC=CC(=N3)C)C4=CC=CC=C4

DOS

IR

Vibrations