Geometry & MOs

Info

ID:	77353
PubChem CID:	48426241
Reduced:	SN4O5C17H28 (1)
Stoich.:	AB4C5D17E28 (1)
Weight, g/mol:	308.129156
ΔH_f, kcal/mol:	-191.26
Dipole, Da:	5.83
IP(EA), eV:	-9.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4-methylphenyl)-N-[2-(diethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1CCCN(C1)S(=O)(=O)C2=C(ON=C2C)C

DOS

IR

Vibrations