Geometry & MOs

Info

ID:	64199
PubChem CID:	29198238
Reduced:	BrSO2N3C16H22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	402.132805
ΔH_f, kcal/mol:	-39.11
Dipole, Da:	5.7
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)[C@H](CNS(=O)(=O)CBr)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations