Geometry & MOs

Info

ID:

418512

PubChem CID:

135105386

Reduced:

O2N3C18H21 (1)

Stoich.:

A2B3C18D21 (1)

Weight, g/mol:

663.31806

ΔHf, kcal/mol:

-45.25

Dipole, Da:

6.51

IP(EA), eV:

 -9.63(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-5-fluoro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3)C

DOS

IR

Vibrations