Geometry & MOs

Info

ID:	127293
PubChem CID:	50997506
Reduced:	N2O3S3C13H18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	390.194343
ΔH_f, kcal/mol:	-81.37
Dipole, Da:	3.29
IP(EA), eV:	-8.96(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methoxy-4-methylphenyl)-6-methyl-2-phenylpyrimidin-5-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC1CCC(C(C1)O)SC2=NNC(=S)S2

DOS

IR

Vibrations