Geometry & MOs

Info

ID:	147673
PubChem CID:	53787330
Reduced:	SN2O4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	579.178769
ΔH_f, kcal/mol:	-101.32
Dipole, Da:	3.24
IP(EA), eV:	-9.09(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxypropanoic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)C2=CC=CC=C21)CCOC3=CC=C(C=C3)C=C4C(=O)NC(=O)S4

DOS

IR

Vibrations