Geometry & MOs

Info

ID:	212609
PubChem CID:	81061189
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-110.67
Dipole, Da:	2.08
IP(EA), eV:	-9.17(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-carbamoyl-2,6-dimethylpyridin-4-yl)thiomorpholin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)N)N2CC(C2)CC(=O)O

DOS

IR

Vibrations