Geometry & MOs

Info

ID:	171717
PubChem CID:	75416481
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	371.96919
ΔH_f, kcal/mol:	-40.85
Dipole, Da:	6.27
IP(EA), eV:	-8.57(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-bromo-4-fluorobenzoyl)-4-ethylthiadiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)NNC(=O)C3=C(C=C(C=C3)C)O

DOS

IR

Vibrations