Geometry & MOs

Info

ID:	314483
PubChem CID:	126621903
Reduced:	SN2H16C27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	307.099714
ΔH_f, kcal/mol:	130.87
Dipole, Da:	1.52
IP(EA), eV:	-8.11(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxa-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),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C4=CC5=C(C=C4C=C3)C6=C(N5)C=CC(=C6)C7=CC=CC=N7

DOS

IR

Vibrations