Geometry & MOs

Info

ID:	134284
PubChem CID:	51672704
Reduced:	ClSN2O4C17H25 (1)
Stoich.:	ABC2D4E17F25 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-163.04
Dipole, Da:	3.7
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)CCOC2=CC(=CC=C2)Cl

DOS

IR

Vibrations