Geometry & MOs

Info

ID:	322122
PubChem CID:	126668746
Reduced:	N3O6C16H27 (1)
Stoich.:	A3B6C16D27 (1)
Weight, g/mol:	278.036128
ΔH_f, kcal/mol:	-285.52
Dipole, Da:	5.9
IP(EA), eV:	-10.72(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-oxo-1H-pyrimidin-2-yl)sulfinylmethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CCC(C)(C)CC(=O)N[C@@H](CC(=O)O)C(=O)N=C(C(=O)O)N

DOS

IR

Vibrations