Geometry & MOs

Info

ID:

419362

PubChem CID:

135108038

Reduced:

O3N4C20H26 (1)

Stoich.:

A3B4C20D26 (1)

Weight, g/mol:

573.258734

ΔHf, kcal/mol:

-72.48

Dipole, Da:

9.53

IP(EA), eV:

 -9.12(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)CCCN4C=NC=N4)OCC2

DOS

IR

Vibrations