Geometry & MOs

Info

ID:

16401

PubChem CID:

466946

Reduced:

N5O6C27H41 (1)

Stoich.:

A5B6C27D41 (1)

Weight, g/mol:

531.305684

ΔHf, kcal/mol:

-285.18

Dipole, Da:

7.87

IP(EA), eV:

 -9.03(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-[(8S,11S)-8-(2-amino-2-oxoethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxyethyl]-N-tert-butylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H]([C@@H]2CC3=CC=C(C=C3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O

DOS

IR

Vibrations