Geometry & MOs

Info

ID:	63532
PubChem CID:	26758566
Reduced:	BrFNO4H17C19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-172.88
Dipole, Da:	4.21
IP(EA), eV:	-9.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-cyanophenyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations