Geometry & MOs

Info

ID:	314377
PubChem CID:	126621726
Reduced:	N2O2C25H40 (1)
Stoich.:	A2B2C25D40 (1)
Weight, g/mol:	373.092521
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	6.64
IP(EA), eV:	-8.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-thia-28-azaheptacyclo[15.11.0.03,15.04,12.05,10.018,27.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18,20,22,24,26-tridecaene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)CCN1C2=CCC(C=C2C(=C=N1)C)C

DOS

IR

Vibrations