Geometry & MOs

Info

ID:	69456
PubChem CID:	47179931
Reduced:	BrFON2H8C14 (1)
Stoich.:	ABCD2E8F14 (1)
Weight, g/mol:	276.031711
ΔH_f, kcal/mol:	7.63
Dipole, Da:	4.56
IP(EA), eV:	-9.55(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-oxo-4H-1,4-benzoxazin-6-yl)thiadiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(C#N)C(=O)C2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations