Geometry & MOs

Info

ID:	57383
PubChem CID:	22395805
Reduced:	NSO2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	269.112404
ΔH_f, kcal/mol:	-42.01
Dipole, Da:	4.07
IP(EA), eV:	-9.07(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-aminoethyl-[2-(6-amino-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1C=C(C=CC1=S)CC(C(=O)O)N

DOS

IR

Vibrations