Geometry & MOs

Info

ID:

398742

PubChem CID:

135035164

Reduced:

ON3H16C17 (2)

Stoich.:

AB3C16D17 (2)

Weight, g/mol:

1067.675731

ΔHf, kcal/mol:

71.06

Dipole, Da:

8.66

IP(EA), eV:

 -9.12(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7,19,30,41,53-pentaoxa-3,11,14,23,26,34,37,46,49,57-decathiapentadecacyclo[30.25.0.02,28.04,27.05,25.09,24.010,22.012,21.013,17.033,56.035,55.036,51.038,50.039,48.043,47]heptapentaconta-1(32),2(28),4(27),5(25),9(24),10(22),12(21),13(17),15,33(56),35(55),36(51),38(50),39(48),43(47),44-hexadecaene-6,8,18,20,29,31,40,42,52,54-decone

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2C3=CC4=CC=CC=C4N=C3N5C(=C(N=N5)C6=CC=CC=C6)C(=O)N2CCC7=CC=CC=C7

DOS

IR

Vibrations