Geometry & MOs

Info

ID:	43917
PubChem CID:	10321978
Reduced:	ON7C26H33 (1)
Stoich.:	AB7C26D33 (1)
Weight, g/mol:	459.084401
ΔH_f, kcal/mol:	93.23
Dipole, Da:	12.52
IP(EA), eV:	-8.53(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-methyl-1-[N-(4-methylphenyl)sulfonyl-S-phenylsulfonimidoyl]butan-2-yl] methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCN(CC2)C(=O)C3=CC=C(C=C3)N(C)C)C#N

DOS

IR

Vibrations