Geometry & MOs

Info

ID:	73414
PubChem CID:	48417647
Reduced:	BrO2N5H10C16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	220.01673
ΔH_f, kcal/mol:	67.74
Dipole, Da:	4.66
IP(EA), eV:	-9.48(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1,2,5-thiadiazole-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC2=NC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N)Br

DOS

IR

Vibrations