Geometry & MOs

Info

ID:

379075

PubChem CID:

134352264

Reduced:

FN2O2H13C17 (1)

Stoich.:

AB2C2D13E17 (1)

Weight, g/mol:

825.387283

ΔHf, kcal/mol:

-62.01

Dipole, Da:

8.64

IP(EA), eV:

 -7.94(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-(3,5-difluorophenyl)-2-[(4-ethylphenyl)carbamoylamino]-N-[(3S,4S,7S,9R,13S,16S,19S)-16-[(1R)-1-hydroxyethyl]-4,9,13,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CN2C3=C(C=C(C=C3)N)OC4=C2C(=CC(=C4C)F)C1=O

DOS

IR

Vibrations