Geometry & MOs

Info

ID:	131248
PubChem CID:	51181165
Reduced:	ClNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	301.11365
ΔH_f, kcal/mol:	-111.97
Dipole, Da:	6.3
IP(EA), eV:	-9.11(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(2-methoxyphenyl)ethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1OC)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3

DOS

IR

Vibrations