Geometry & MOs

Info

ID:

445118

PubChem CID:

135264569

Reduced:

SN2O2C18H19 (2)

Stoich.:

AB2C2D18E19 (2)

Weight, g/mol:

510.335862

ΔHf, kcal/mol:

-81.05

Dipole, Da:

3.07

IP(EA), eV:

 -8.95(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cycloheptyl-1-[3-(cyclooctylmethyl)-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),4,7,9,11,15,17-octaen-13-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(S2)C3=CN=C(N=C3)C4=CC=C(C=C4)C[C@@H](C(=O)N[C@H](C)C(O)O)NC(=O)C5=CC=C(S5)C(C)(C)C

DOS

IR

Vibrations