Geometry & MOs

Info

ID:	134121
PubChem CID:	51647080
Reduced:	ClSO3N4C22H23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	6.05
IP(EA), eV:	-8.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-N-[(6-morpholin-4-ylpyridin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CSC2N1C(=O)CC(N2)COC(=O)/C=C/C3=C(N(N=C3C)CC4=CC=CC=C4)Cl

DOS

IR

Vibrations