Geometry & MOs

Info

ID:

416069

PubChem CID:

135089077

Reduced:

ClN3O4C15H16 (1)

Stoich.:

AB3C4D15E16 (1)

Weight, g/mol:

717.348611

ΔHf, kcal/mol:

-140.38

Dipole, Da:

6.73

IP(EA), eV:

 -9.88(-0.59)

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-(2-oxopyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)[C@@H]2[C@H](NC(=O)CO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations