Geometry & MOs

Info

ID:	245626
PubChem CID:	99455639
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	419.169034
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	6.23
IP(EA), eV:	-9.24(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations