Geometry & MOs

Info

ID:	174106
PubChem CID:	75725228
Reduced:	ClN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	450.101621
ΔH_f, kcal/mol:	-131.43
Dipole, Da:	1.71
IP(EA), eV:	-9.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-N-(2-hydroxyacetyl)anilino)-N-[(4-methylphenyl)sulfonylmethyl]pent-3-enamide

Drug info:

PubChemData

Smile

CC=CC(C(=O)NC(C)(C)C)N(C1=CC(=CC=C1)Cl)C(=O)CO

DOS

IR

Vibrations