Geometry & MOs

Info

ID:	36607
PubChem CID:	8009577
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	6.09
IP(EA), eV:	-8.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations