Geometry & MOs

Info

ID:

311227

PubChem CID:

126589974

Reduced:

SN4H34C49 (1)

Stoich.:

AB4C34D49 (1)

Weight, g/mol:

712.266068

ΔHf, kcal/mol:

232.69

Dipole, Da:

4.41

IP(EA), eV:

 -8.28(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-30-thia-14-azaheptacyclo[15.13.0.03,15.04,13.05,10.018,23.024,29]triaconta-1(17),2,4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=C(C7=C5C8=C(C=C7)SC9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C1C=C6

DOS

IR

Vibrations