Geometry & MOs

Info

ID:	188395
PubChem CID:	77710075
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	4.77
IP(EA), eV:	-9.25(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-yloxy)-1-(5-methyl-10-thia-3,4,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),11-dien-7-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)C4CCCCC4

DOS

IR

Vibrations