Geometry & MOs

Info

ID:	245649
PubChem CID:	99455795
Reduced:	SO3N4C21H30 (1)
Stoich.:	AB3C4D21E30 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-84.35
Dipole, Da:	4.26
IP(EA), eV:	-8.65(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)CSC2=NC=CN2C3=CC=C(C=C3)OC

DOS

IR

Vibrations