Geometry & MOs

Info

ID:	314378
PubChem CID:	126621727
Reduced:	NSH15C26 (1)
Stoich.:	ABC15D26 (1)
Weight, g/mol:	357.115364
ΔH_f, kcal/mol:	203.09
Dipole, Da:	2.47
IP(EA), eV:	-7.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

28-oxa-5-azaheptacyclo[15.11.0.02,14.04,12.06,11.018,27.019,24]octacosa-1(17),2,4(12),6,8,10,13,15,18(27),19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C4=C(N3)C=C5C(=C4)C=CC6=C5C7=CC=CC=C7S6

DOS

IR

Vibrations