Geometry & MOs

Info

ID:	62856
PubChem CID:	26737287
Reduced:	ClN2O6C17H17 (1)
Stoich.:	AB2C6D17E17 (1)
Weight, g/mol:	394.075406
ΔH_f, kcal/mol:	-122.94
Dipole, Da:	6.65
IP(EA), eV:	-8.47(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC)Cl)OC

DOS

IR

Vibrations