Geometry & MOs

Info

ID:	392409
PubChem CID:	135015549
Reduced:	N5H9C14 (1)
Stoich.:	A5B9C14 (1)
Weight, g/mol:	353.072179
ΔH_f, kcal/mol:	171.49
Dipole, Da:	5.83
IP(EA), eV:	-9.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3,3-dioxo-18-oxa-3lambda6-thia-2-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),4(9),5,7,14(19),15,20-heptaen-17-one

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(C#N)(C#N)C(C#N)C#N

DOS

IR

Vibrations