Geometry & MOs

Info

ID:	122035
PubChem CID:	50790549
Reduced:	ClS2O3N4C19H19 (1)
Stoich.:	AB2C3D4E19F19 (1)
Weight, g/mol:	474.103162
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	8.86
IP(EA), eV:	-8.72(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=C(C(=N2)SC)S(=O)(=O)C3=CC=CC=C3)N

DOS

IR

Vibrations