Geometry & MOs

Info

ID:	43729
PubChem CID:	10321709
Reduced:	ClNO4C26H28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	453.058376
ΔH_f, kcal/mol:	-146.0
Dipole, Da:	3.99
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2S)-3-methylsulfanyl-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)C)C(=O)OCC)C)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations