Geometry & MOs

Info

ID:

314386

PubChem CID:

126621736

Reduced:

NSH14C25 (2)

Stoich.:

ABC14D25 (2)

Weight, g/mol:

384.126263

ΔHf, kcal/mol:

225.28

Dipole, Da:

3.29

IP(EA), eV:

 -8.05(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-pyridin-2-yl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)NC6=C5C=C7C=CC8=C(C7=C6)C9=CC=CC=C9S8)C1=C2C=C2C(=C1)C=CC1=C2C2=CC=CC=C2S1

DOS

IR

Vibrations