Geometry & MOs

Info

ID:	273671
PubChem CID:	103771658
Reduced:	INSCl2O2H10C13 (1)
Stoich.:	ABCD2E2F10G13 (1)
Weight, g/mol:	365.00851
ΔH_f, kcal/mol:	-30.62
Dipole, Da:	3.55
IP(EA), eV:	-9.41(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromo-4-methylphenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CSC=C1C(CNC(=O)C2=C(C(=CC(=C2)Cl)Cl)I)O

DOS

IR

Vibrations