Geometry & MOs

Info

ID:	149082
PubChem CID:	53788753
Reduced:	SCl4N9O11C57H57 (1)
Stoich.:	AB4C9D11E57F57 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-279.58
Dipole, Da:	10.83
IP(EA), eV:	-8.33(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

Drug info:

Smile

CCCOC1=C(C=C(C=C1)C)C.CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Cl)NC(=O)C(C(=O)N3CCC4=CC=CC=C43)N5C(=O)C(N(C5=O)C)OC.C1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)C(C3=CC(=CC=C3)NC=O)ON

DOS

IR

Vibrations