Geometry & MOs

Info

ID:	43676
PubChem CID:	10321634
Reduced:	FON2H29C30 (1)
Stoich.:	ABC2D29E30 (1)
Weight, g/mol:	452.176979
ΔH_f, kcal/mol:	0.79
Dipole, Da:	4.37
IP(EA), eV:	-8.63(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-(2-hydroxyethyl)-2-(4-methyl-N-(2-methylphenyl)sulfonylanilino)acetamide

Drug info:

PubChemData

Smile

C[C@]12CC3=C(C=C1CCC[C@]2(CCC4=CC=CC5=CC=CC=C54)O)N(N=C3)C6=CC=C(C=C6)F

DOS

IR

Vibrations