Geometry & MOs

Info

ID:	154145
PubChem CID:	56313544
Reduced:	FN2O3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	427.172976
ΔH_f, kcal/mol:	-90.89
Dipole, Da:	2.57
IP(EA), eV:	-9.21(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)C(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations