Geometry & MOs

Info

ID:	158047
PubChem CID:	56459437
Reduced:	SN5O5C18H23 (1)
Stoich.:	AB5C5D18E23 (1)
Weight, g/mol:	402.04399
ΔH_f, kcal/mol:	-157.98
Dipole, Da:	6.44
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C(=O)NC2=C(NN=C2C(=O)N)C)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations