Geometry & MOs

Info

ID:	386770
PubChem CID:	134982866
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	398.043522
ΔH_f, kcal/mol:	10.86
Dipole, Da:	4.26
IP(EA), eV:	-8.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(20Z)-27,28-dioxa-25,26-dithiahexacyclo[20.2.1.12,5.112,15.116,19.06,11]octacosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

Drug info:

PubChemData

Smile

C/C(=C(\C#N)/C(=O)N)/C(=C\C1=CC=CC=C1)/C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations