Geometry & MOs

Info

ID:	323216
PubChem CID:	126673705
Reduced:	NSO4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	4.05
IP(EA), eV:	-8.98(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-methyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide

Drug info:

PubChemData

Smile

C1C(O1)CN2C3=CC=CC=C3OC4=CC=CC=C4S2(=O)=O

DOS

IR

Vibrations