Geometry & MOs

Info

ID:

329512

PubChem CID:

126737735

Reduced:

NH25C35 (1)

Stoich.:

AB25C35 (1)

Weight, g/mol:

677.192569

ΔHf, kcal/mol:

136.84

Dipole, Da:

3.25

IP(EA), eV:

 -7.84(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-naphthalen-1-ylquinazolin-2-yl)-19-thia-9-azaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)C5=C(C6=CC=CC=C64)N(C7=CC=CC=C75)C8=CC=CC=C8)C

DOS

IR

Vibrations