Geometry & MOs

Info

ID:	273681
PubChem CID:	103771724
Reduced:	NSCl2O2H13C15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	368.98344
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	4.75
IP(EA), eV:	-9.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromo-2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)/C=C/C(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations