Geometry & MOs

Info

ID:	171623
PubChem CID:	75407470
Reduced:	BrNSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	335.9932
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	2.5
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromothiophen-3-yl)-N-(2-pyridin-2-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)/C=C/C2=CSC(=C2)Br

DOS

IR

Vibrations