Geometry & MOs

Info

ID:	124574
PubChem CID:	50887996
Reduced:	ClSO5N6H19C23 (1)
Stoich.:	ABC5D6E19F23 (1)
Weight, g/mol:	400.029997
ΔH_f, kcal/mol:	-65.56
Dipole, Da:	7.43
IP(EA), eV:	-9.07(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-[1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrol-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC=CN2C3=CC=C(C=C3)S(=O)(=O)N=C(N)N)C4=CC(=C(C=C4)Cl)C(=O)O

DOS

IR

Vibrations