Geometry & MOs

Info

ID:	147370
PubChem CID:	53787026
Reduced:	FN2O3H21C25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	500.253589
ΔH_f, kcal/mol:	-42.24
Dipole, Da:	12.72
IP(EA), eV:	-8.07(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-butyl-4-oxo-6-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(N(NC1=C2C=CC(=O)C=C2)CC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O

DOS

IR

Vibrations