Geometry & MOs

Info

ID:	135115
PubChem CID:	51815969
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	444.171893
ΔH_f, kcal/mol:	-168.44
Dipole, Da:	6.44
IP(EA), eV:	-9.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-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)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C(=C)C

DOS

IR

Vibrations