Geometry & MOs

Info

ID:	447085
PubChem CID:	135280153
Reduced:	NSH13C17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	494.178299
ΔH_f, kcal/mol:	60.85
Dipole, Da:	2.49
IP(EA), eV:	-7.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,13-diphenyl-1,23-diazaheptacyclo[12.10.2.12,6.011,25.018,26.019,24.010,27]heptacosa-2(27),3,5,7,9,11(25),12,14(26),15,17,19(24),20,22-tridecaene

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=CC=CC=C13)NC4=CC=CC=C4S2

DOS

IR

Vibrations