Geometry & MOs

Info

ID:	80158
PubChem CID:	49833297
Reduced:	SO2N8C26H32 (1)
Stoich.:	AB2C8D26E32 (1)
Weight, g/mol:	597.320271
ΔH_f, kcal/mol:	26.35
Dipole, Da:	7.07
IP(EA), eV:	-8.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-butyl-2-methyl-6-oxo-1-pyridin-2-ylpyrimidin-5-yl)methyl]-2,6-dipropylphenoxy]-2-(2-methoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)N)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=CC=CC5=NC=CN54)N6CCOCC6

DOS

IR

Vibrations