Geometry & MOs

Info

ID:	314380
PubChem CID:	126621729
Reduced:	NOH17C23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	564.16602
ΔH_f, kcal/mol:	56.63
Dipole, Da:	2.48
IP(EA), eV:	-8.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-(9-phenylcarbazol-3-yl)-9-thia-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

CC12C=CC=CC1OC3=C2C4=CC5=C(C=C4C=C3)C6=CC=CC=C6N5

DOS

IR

Vibrations