Geometry & MOs

Info

ID:	213675
PubChem CID:	81064577
Reduced:	ClSN3O3C10H18 (1)
Stoich.:	ABC3D3E10F18 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-101.5
Dipole, Da:	4.68
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CN(N=C1)CCCl

DOS

IR

Vibrations