Geometry & MOs

Info

ID:	378774
PubChem CID:	134224872
Reduced:	ClON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	399.108171
ΔH_f, kcal/mol:	61.97
Dipole, Da:	6.02
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

20-phenyl-12-thia-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene

Drug info:

PubChemData

Smile

CN=C(/C=C\C=C)N(C1=CC=CC=N1)C(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations