Geometry & MOs

Info

ID:

422568

PubChem CID:

135118051

Reduced:

FN5O6C32H34 (1)

Stoich.:

AB5C6D32E34 (1)

Weight, g/mol:

715.369347

ΔHf, kcal/mol:

-224.06

Dipole, Da:

6.8

IP(EA), eV:

 -8.74(-0.85)

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]-4,6-dimethylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C2C=CC(=C1)C(=O)NCCCN(CCCC(=O)NCC3=C(O2)C=CC=C3F)C(=O)CCN4C5=CC=CC=C5NC4=O

DOS

IR

Vibrations