Geometry & MOs

Info

ID:	34525
PubChem CID:	7978626
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	396.171893
ΔH_f, kcal/mol:	-109.82
Dipole, Da:	5.18
IP(EA), eV:	-8.44(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)C)Cl

DOS

IR

Vibrations