Geometry & MOs

Info

ID:	38506
PubChem CID:	8136936
Reduced:	ClSN3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	403.120192
ΔH_f, kcal/mol:	-101.6
Dipole, Da:	7.0
IP(EA), eV:	-8.88(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations