Geometry & MOs

Info

ID:	62801
PubChem CID:	26736924
Reduced:	FNO3H7C8 (2)
Stoich.:	ABC3D7E8 (2)
Weight, g/mol:	389.100954
ΔH_f, kcal/mol:	-195.15
Dipole, Da:	9.11
IP(EA), eV:	-9.22(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-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

COC1=C(C(=C(C(=C1)C(=O)NC2=CC(=C(C=C2)F)F)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations