Geometry & MOs

Info

ID:

218532

PubChem CID:

85089581

Reduced:

BrON2C27H29 (1)

Stoich.:

ABC2D27E29 (1)

Weight, g/mol:

477.097012

ΔHf, kcal/mol:

42.64

Dipole, Da:

3.27

IP(EA), eV:

 -7.97(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(6-oxa-4-thia-9,19-diazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),2,8,10,12(20),13,15,17-octaen-2-yl)ethyl]acetamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CCN2CCC3=CC(=C(C=C3C(C2)C4=CC=CC=C4)O)Br

DOS

IR

Vibrations