Geometry & MOs

Info

ID:	38675
PubChem CID:	8137410
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	352.118985
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	1.21
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1)C(=O)NCC(=O)NC2CC2)C

DOS

IR

Vibrations