Geometry & MOs

Info

ID:

316848

PubChem CID:

126631869

Reduced:

NSH21C33 (1)

Stoich.:

ABC21D33 (1)

Weight, g/mol:

539.180287

ΔHf, kcal/mol:

140.46

Dipole, Da:

2.39

IP(EA), eV:

 -7.98(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-methyl-18-(5-phenylbenzo[b]phosphindol-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

Drug info:

PubChemData

Smile

CN1C2=CC=CC(=C2C3=C1C4=CC=CC=C4C5=CC=CC=C53)C6=CC7=C(C=C6)C8=CC=CC=C8S7

DOS

IR

Vibrations