Geometry & MOs

Info

ID:	122033
PubChem CID:	50790322
Reduced:	ON4C29H30 (1)
Stoich.:	AB4C29D30 (1)
Weight, g/mol:	476.118812
ΔH_f, kcal/mol:	59.14
Dipole, Da:	4.25
IP(EA), eV:	-8.16(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-4-(4-methylphenyl)sulfonyl-3-methylsulfanylpyrazol-1-yl]-N-(3,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2C3=CC=CN3C4=CC=CC=C4CN2C(=O)NCCC5=CC=CC=C5

DOS

IR

Vibrations