Geometry & MOs

Info

ID:	127112
PubChem CID:	50991114
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	629.267191
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	6.28
IP(EA), eV:	-9.02(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[[4-butyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-2-propan-2-ylpyrimidin-5-yl]methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1O)C2=NC3=C(C=CC(=C3)C(=O)O)N=C2C4=CC=CC=C4

DOS

IR

Vibrations