Geometry & MOs

Info

ID:	132485
PubChem CID:	51368792
Reduced:	FN3O5C24H26 (1)
Stoich.:	AB3C5D24E26 (1)
Weight, g/mol:	429.125547
ΔH_f, kcal/mol:	-197.22
Dipole, Da:	2.76
IP(EA), eV:	-8.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-6-methylphenyl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=N1)C2=CC=C(C=C2)F)CC(=O)NCC3=CC(=C(C=C3)OC)OC)CCO

DOS

IR

Vibrations