Geometry & MOs

Info

ID:	238777
PubChem CID:	93165481
Reduced:	SN2O5C12H22 (1)
Stoich.:	AB2C5D12E22 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-236.98
Dipole, Da:	10.46
IP(EA), eV:	-9.93(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-piperazin-1-yl-2-(1H-pyrrol-2-yl)ethanone

Drug info:

PubChemData

Smile

CCN([C@H]1CCS(=O)(=O)C1)[C@@H](C)C(=O)N[C@@H](C)C(=O)O

DOS

IR

Vibrations