Geometry & MOs

Info

ID:	169854
PubChem CID:	75157708
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	356.164854
ΔH_f, kcal/mol:	-59.42
Dipole, Da:	3.92
IP(EA), eV:	-9.58(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-3,5-dien-8-yl)propanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC3C=C(N=NC3=O)C

DOS

IR

Vibrations