Geometry & MOs

Info

ID:	128745
PubChem CID:	51056808
Reduced:	ON5H9C13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	252.077993
ΔH_f, kcal/mol:	79.02
Dipole, Da:	1.48
IP(EA), eV:	-9.26(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(morpholin-4-ylamino)-2-oxoethyl]sulfanylacetic acid;hydrate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=NC3=CC=CC=C3N2C=C1C#N

DOS

IR

Vibrations