Geometry & MOs

Info

ID:

329508

PubChem CID:

126737698

Reduced:

NOSH21C31 (1)

Stoich.:

ABCD21E31 (1)

Weight, g/mol:

668.167083

ΔHf, kcal/mol:

103.94

Dipole, Da:

2.2

IP(EA), eV:

 -7.94(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-pyridin-3-yl-14-(9-thia-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaen-19-yl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

Drug info:

PubChemData

Smile

CS(=O)C1=CC=CC=C1C2=CC3=C(C4=CC=CC=C42)C5=C(C6=CC=CC=C63)NC7=CC=CC=C75

DOS

IR

Vibrations