Geometry & MOs

Info

ID:	243813
PubChem CID:	99239814
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	448.00049
ΔH_f, kcal/mol:	-1.53
Dipole, Da:	5.7
IP(EA), eV:	-8.68(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N'-[5-(4-fluorophenyl)thiophene-2-carbonyl]-1H-pyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CCC1=NC=C(S1)C(=O)NNC(=O)C2=C(N(C(=C2)C)C3=CC=CC=C3)C

DOS

IR

Vibrations