Geometry & MOs

Info

ID:	243803
PubChem CID:	99239727
Reduced:	BrSO4N5C18H22 (1)
Stoich.:	ABC4D5E18F22 (1)
Weight, g/mol:	381.04882
ΔH_f, kcal/mol:	-59.98
Dipole, Da:	5.07
IP(EA), eV:	-9.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=NNC(=C2Br)C3CC3

DOS

IR

Vibrations