Geometry & MOs

Info

ID:

329530

PubChem CID:

126737851

Reduced:

NOSH21C38 (1)

Stoich.:

ABCD21E38 (1)

Weight, g/mol:

667.171834

ΔHf, kcal/mol:

147.82

Dipole, Da:

2.28

IP(EA), eV:

 -8.13(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-dibenzothiophen-4-ylquinazolin-4-yl)-25-oxa-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC4=C3C5=CC=CC=C5S4)C6=C2C7=CC=CC=C7N6C8=CC9=C(C=C8)C1=CC=CC=C1O9

DOS

IR

Vibrations