Geometry & MOs

Info

ID:	185844
PubChem CID:	77358274
Reduced:	SN5O6C25H31 (1)
Stoich.:	AB5C6D25E31 (1)
Weight, g/mol:	552.284889
ΔH_f, kcal/mol:	-208.35
Dipole, Da:	10.42
IP(EA), eV:	-9.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-butyl-4-ethyl-6-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methoxy]pyrimidin-5-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)CCCC(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

DOS

IR

Vibrations