Geometry & MOs

Info

ID:

316448

PubChem CID:

126630927

Reduced:

FN5O5C30H40 (1)

Stoich.:

AB5C5D30E40 (1)

Weight, g/mol:

1073.33659

ΔHf, kcal/mol:

-233.24

Dipole, Da:

1.73

IP(EA), eV:

 -9.09(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[3-[2,6-bis[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]pyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C1)C=CC(=C2F)/C=C/C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N3CCC[C@H](N3)C(=O)O

DOS

IR

Vibrations