Geometry & MOs

Info

ID:	62825
PubChem CID:	26737030
Reduced:	FN2O3H19C24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	357.094726
ΔH_f, kcal/mol:	-102.33
Dipole, Da:	3.55
IP(EA), eV:	-9.08(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations