Geometry & MOs

Info

ID:

82946

PubChem CID:

49856862

Reduced:

BrFON5C22H23 (1)

Stoich.:

ABCD5E22F23 (1)

Weight, g/mol:

459.153421

ΔHf, kcal/mol:

-11.3

Dipole, Da:

5.45

IP(EA), eV:

 -8.63(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(12,14-dimethyl-13-sulfanylidene-12,14-diaza-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)morpholine

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN2C(=NC(=C2NC3=CC=C(C=C3)Br)C4=CC=C(C=C4)F)C1)N

DOS

IR

Vibrations