Geometry & MOs

Info

ID:	165395
PubChem CID:	74545409
Reduced:	ClNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	5.41
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamidophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C=CC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations