Geometry & MOs

Info

ID:	59412
PubChem CID:	24856842
Reduced:	FN3O5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	462.087702
ΔH_f, kcal/mol:	-251.52
Dipole, Da:	4.93
IP(EA), eV:	-8.17(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-6-methylphenyl)-2-[[1-[3-(hydroxyamino)-3-oxopropyl]-2-methyl-6-oxopyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)N3CCOC3=O)F)OC(=O)N4C5CC6CC(C5)OC4C6

DOS

IR

Vibrations