Geometry & MOs

Info

ID:

83615

PubChem CID:

49858859

Reduced:

N4O5H28C33 (1)

Stoich.:

A4B5C28D33 (1)

Weight, g/mol:

560.274718

ΔHf, kcal/mol:

-32.61

Dipole, Da:

14.87

IP(EA), eV:

 -8.45(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,9S,11R,13S,14S)-10-[(2S)-1-(2,3-dimethyl-6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)propan-2-yl]oxyimino-14-hydroxy-4-phenyl-12-oxa-2,4,6-triazatetracyclo[7.5.0.02,6.011,13]tetradecane-3,5-dione

Drug info:

PubChemData

Smile

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CCC3=CNC4=CC=CC=C43)C=CCOC)OC(=O)C5=NC6=CC=CC=C6N=C5

DOS

IR

Vibrations