Geometry & MOs

Info

ID:	18782
PubChem CID:	548179
Reduced:	ClN4O4C20H25 (1)
Stoich.:	AB4C4D20E25 (1)
Weight, g/mol:	420.156433
ΔH_f, kcal/mol:	-139.14
Dipole, Da:	6.3
IP(EA), eV:	-9.53(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-chlorophenyl)-2-[(2-ethoxyacetyl)amino]-6-ethylpyrimidin-4-yl]-2-ethoxyacetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)NC(=O)COCC)NC(=O)COCC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations