Geometry & MOs

Info

ID:	123020
PubChem CID:	50830678
Reduced:	SN2O3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	342.120213
ΔH_f, kcal/mol:	-39.8
Dipole, Da:	4.9
IP(EA), eV:	-9.11(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-4-methyl-3-thia-7-azatricyclo[6.5.0.02,6]trideca-1(8),2(6),4-triene-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)C3=CSC=C3

DOS

IR

Vibrations