Geometry & MOs

Info

ID:	245652
PubChem CID:	99455801
Reduced:	SO2N5C25H35 (1)
Stoich.:	AB2C5D25E35 (1)
Weight, g/mol:	356.209993
ΔH_f, kcal/mol:	-37.71
Dipole, Da:	2.99
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxynaphthalene-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=C(SC(=C4)C)C

DOS

IR

Vibrations