Geometry & MOs

Info

ID:	64177
PubChem CID:	29197796
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-68.23
Dipole, Da:	6.75
IP(EA), eV:	-8.46(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(methylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCCC4

DOS

IR

Vibrations