Geometry & MOs

Info

ID:	64303
PubChem CID:	29198985
Reduced:	SN4O4C23H31 (1)
Stoich.:	AB4C4D23E31 (1)
Weight, g/mol:	495.04635
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	7.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752153
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbohydrazide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)[C@H](CNS(=O)(=O)C2=C(C=CC(=C2)OC)OC)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations