Geometry & MOs

Info

ID:	303814
PubChem CID:	124490210
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-90.09
Dipole, Da:	3.83
IP(EA), eV:	-8.56(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5R)-2-amino-4,6-dioxo-5-propyl-1H-pyrimidin-5-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](CSCC1=CC=CC=C1)N

DOS

IR

Vibrations