Geometry & MOs

Info

ID:	213340
PubChem CID:	81063487
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	269.101171
ΔH_f, kcal/mol:	-168.25
Dipole, Da:	5.69
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CSC1=CC=C(C=C1)OC

DOS

IR

Vibrations