Geometry & MOs

Info

ID:	196043
PubChem CID:	78770855
Reduced:	ClSN3O3C16H18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	-63.1
Dipole, Da:	3.18
IP(EA), eV:	-9.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N(C)CC2=CN=CC=C2)Cl

DOS

IR

Vibrations