Geometry & MOs

Info

ID:	48619
PubChem CID:	11110053
Reduced:	NOSH19C20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	4.69
Dipole, Da:	4.62
IP(EA), eV:	-8.32(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dioxa-13,18-diazatricyclo[18.4.0.06,11]tetracosa-1(24),6,8,10,12,18,20,22-octaene

Drug info:

PubChemData

Smile

CC1=CC=C(C2=CC=CC=C12)C(=O)C3=C(SC4=C3CCCC4)N

DOS

IR

Vibrations