Geometry & MOs

Info

ID:	135114
PubChem CID:	51815968
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-130.05
Dipole, Da:	4.46
IP(EA), eV:	-9.39(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-2-methyl-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC(=CC=C1)O)C(=O)NC(C)(C)C)C(=O)C(=C)C

DOS

IR

Vibrations