Geometry & MOs

Info

ID:

440678

PubChem CID:

135230904

Reduced:

OSCl2N5C18H21 (1)

Stoich.:

ABC2D5E18F21 (1)

Weight, g/mol:

432.146537

ΔHf, kcal/mol:

0.4

Dipole, Da:

7.07

IP(EA), eV:

 -8.75(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-chloro-14-oxa-5,7,20,23-tetrazapentacyclo[13.6.1.12,6.08,13.019,22]tricosa-1(21),2(23),3,5,8(13),9,11,15,17,19(22)-decaen-11-yl)piperidin-4-amine

Drug info:

PubChemData

Smile

C1CC2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)Cl)Cl)C[C@@H]1O

DOS

IR

Vibrations