Geometry & MOs

Info

ID:

325028

PubChem CID:

126679310

Reduced:

SN3C18H25 (1)

Stoich.:

AB3C18D25 (1)

Weight, g/mol:

733.284161

ΔHf, kcal/mol:

43.38

Dipole, Da:

1.95

IP(EA), eV:

 -8.39(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-10-phenyl-24-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

CC1C(SC=N1)C2=CC=C(C=C2)CNC(=C)C3CCCN3C

DOS

IR

Vibrations