Geometry & MOs

Info

ID:	30872
PubChem CID:	842087
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	338.060425
ΔH_f, kcal/mol:	-164.66
Dipole, Da:	8.93
IP(EA), eV:	-9.6(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3-methoxyphenyl)carbamothioyl]-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2CCCC2)C(=O)O)C

DOS

IR

Vibrations