Geometry & MOs

Info

ID:	134345
PubChem CID:	51684042
Reduced:	N3O3C26H36 (1)
Stoich.:	A3B3C26D36 (1)
Weight, g/mol:	459.149778
ΔH_f, kcal/mol:	-70.94
Dipole, Da:	1.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.810252
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethylbenzohydrazide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+]3CCCCC[C@@H]3C4=CC=C(C=C4)OC

DOS

IR

Vibrations