Geometry & MOs

Info

ID:	65457
PubChem CID:	38671688
Reduced:	N4O5C24H28 (1)
Stoich.:	A4B5C24D28 (1)
Weight, g/mol:	421.120861
ΔH_f, kcal/mol:	-136.95
Dipole, Da:	6.44
IP(EA), eV:	-8.85(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)[C@@H](C)OC(=O)C3=C(N=C4C(=C3)C(=NN4C)C)C

DOS

IR

Vibrations