Geometry & MOs

Info

ID:

414794

PubChem CID:

135087757

Reduced:

FN3O4C16H18 (1)

Stoich.:

AB3C4D16E18 (1)

Weight, g/mol:

700.358448

ΔHf, kcal/mol:

-123.68

Dipole, Da:

3.92

IP(EA), eV:

 -9.14(-1.46)

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-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)N3CCC(C3)CN)C(=O)O)F

DOS

IR

Vibrations