Geometry & MOs

Info

ID:	243191
PubChem CID:	99216723
Reduced:	BrSO2N4H15C18 (1)
Stoich.:	ABC2D4E15F18 (1)
Weight, g/mol:	404.0558
ΔH_f, kcal/mol:	25.03
Dipole, Da:	0.52
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromothiophen-2-yl)-1-[4-(N-methylanilino)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C2=CSN=N2)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations