Geometry & MOs

Info

ID:	70938
PubChem CID:	48414069
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	400.02047
ΔH_f, kcal/mol:	-80.42
Dipole, Da:	2.9
IP(EA), eV:	-8.5(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)OCC

DOS

IR

Vibrations