Geometry & MOs

Info

ID:	317112
PubChem CID:	126632531
Reduced:	NSH15C23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	413.133337
ΔH_f, kcal/mol:	101.21
Dipole, Da:	2.07
IP(EA), eV:	-8.15(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methyl-12-phenyl-16-aza-12-phosphahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

Drug info:

PubChemData

Smile

CN1C2=CC3=CC=CC=C3C=C2C4=C1C5=C(C=C4)SC6=CC=CC=C65

DOS

IR

Vibrations