Geometry & MOs

Info

ID:	26727
PubChem CID:	794805
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	331.94664
ΔH_f, kcal/mol:	29.21
Dipole, Da:	3.1
IP(EA), eV:	-9.36(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)N

DOS

IR

Vibrations