Geometry & MOs

Info

ID:	70887
PubChem CID:	48414000
Reduced:	O3N5C14H21 (1)
Stoich.:	A3B5C14D21 (1)
Weight, g/mol:	416.13184
ΔH_f, kcal/mol:	-113.29
Dipole, Da:	8.0
IP(EA), eV:	-9.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorophenyl)sulfonylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)NCC2=C(NN=C2)C)CC

DOS

IR

Vibrations