Geometry & MOs

Info

ID:	37952
PubChem CID:	8025835
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-120.33
Dipole, Da:	9.31
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-[(2S)-2-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2C(=O)C)C)S(=O)(=O)N(C)C

DOS

IR

Vibrations