Geometry & MOs

Info

ID:	122034
PubChem CID:	50790448
Reduced:	S2N4O5C21H24 (1)
Stoich.:	A2B4C5D21E24 (1)
Weight, g/mol:	450.058711
ΔH_f, kcal/mol:	-125.58
Dipole, Da:	9.98
IP(EA), eV:	-8.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2SC)CC(=O)NC3=CC(=CC(=C3)OC)OC)N

DOS

IR

Vibrations