Geometry & MOs

Info

ID:	77286
PubChem CID:	48426019
Reduced:	ClO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	324.150764
ΔH_f, kcal/mol:	-49.5
Dipole, Da:	3.81
IP(EA), eV:	-9.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations