Geometry & MOs

Info

ID:	243830
PubChem CID:	99239914
Reduced:	BrO3N5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	472.05463
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	9.07
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)NC(=O)N1)C2=CC(=CC=C2)NC(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations