Geometry & MOs

Info

ID:	38443
PubChem CID:	8066917
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-160.21
Dipole, Da:	4.48
IP(EA), eV:	-9.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-4-(4-ethoxy-3-ethylphenyl)sulfonyl-2,6-dimethylmorpholine

Drug info:

PubChemData

Smile

CC1=C(C[C@@H]([C@H](C1)C(=O)NCC2=CC=CO2)C(=O)O)C

DOS

IR

Vibrations