Geometry & MOs

Info

ID:	139986
PubChem CID:	52626608
Reduced:	ClSN2O2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	369.229051
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	1.88
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-3-yl]-3-[(2S)-2-phenylpropyl]urea

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)C[C@@H](N2C(=O)C3=CC(=CC=C3)Cl)C(=O)N4CCC5=C(C4)C=CS5

DOS

IR

Vibrations