Geometry & MOs

Info

ID:	57990
PubChem CID:	24398146
Reduced:	BrS2N3O3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	474.139548
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	4.73
IP(EA), eV:	-8.61(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(diethylsulfamoyl)-2-oxopyridin-1-yl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N(C)C)C

DOS

IR

Vibrations