Geometry & MOs

Info

ID:	217678
PubChem CID:	85088203
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	388.124549
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	3.43
IP(EA), eV:	-9.55(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-9-thia-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-12,14,16,18-tetraene-3,5-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=NC=C3

DOS

IR

Vibrations