Geometry & MOs

Info

ID:	174107
PubChem CID:	75725229
Reduced:	ClSN2O5C21H23 (1)
Stoich.:	ABC2D5E21F23 (1)
Weight, g/mol:	364.15537
ΔH_f, kcal/mol:	-163.29
Dipole, Da:	6.54
IP(EA), eV:	-9.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-N-(2-hydroxyacetyl)anilino)-N-cyclohexylpent-3-enamide

Drug info:

PubChemData

Smile

CC=CC(C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(C2=CC(=CC=C2)Cl)C(=O)CO

DOS

IR

Vibrations