Geometry & MOs

Info

ID:

311272

PubChem CID:

126590122

Reduced:

FOSN4H15C18 (1)

Stoich.:

ABCD4E15F18 (1)

Weight, g/mol:

643.262363

ΔHf, kcal/mol:

28.52

Dipole, Da:

8.12

IP(EA), eV:

 -8.42(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]-14-oxa-17-azahexacyclo[13.11.0.02,7.08,13.016,24.018,23]hexacosa-1(15),2,4,6,8,10,12,16(24),18,20,22,25-dodecaene

Drug info:

PubChemData

Smile

CNC1=CC(=C(C=C1)OC2=C3C(=NC=C2)C=C(S3)C4=CN(C=N4)C)F

DOS

IR

Vibrations