Geometry & MOs

Info

ID:

314414

PubChem CID:

126621776

Reduced:

OSN3H25C46 (1)

Stoich.:

ABC3D25E46 (1)

Weight, g/mol:

693.187484

ΔHf, kcal/mol:

210.14

Dipole, Da:

2.24

IP(EA), eV:

 -8.08(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-phenylnaphthalen-1-yl)-4-(3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2OC4=C3C5=CC=CC=C5C6=CC=CC=C64)N7C8=CC=CC=C8C9=C7C=C1C(=C9)C=CC2=C1SC1=CC=CC=C21

DOS

IR

Vibrations