Geometry & MOs

Info

ID:

421467

PubChem CID:

135116058

Reduced:

ON2C11H13 (2)

Stoich.:

AB2C11D13 (2)

Weight, g/mol:

733.348692

ΔHf, kcal/mol:

-25.15

Dipole, Da:

2.65

IP(EA), eV:

 -8.5(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-2-fluoro-6-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CCC(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations