Geometry & MOs

Info

ID:

419386

PubChem CID:

135108103

Reduced:

FNO4C14H16 (1)

Stoich.:

ABC4D14E16 (1)

Weight, g/mol:

661.362805

ΔHf, kcal/mol:

-209.91

Dipole, Da:

5.62

IP(EA), eV:

 -9.74(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]-2-(4-phenylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O

DOS

IR

Vibrations