Geometry & MOs

Info

ID:	152903
PubChem CID:	56311992
Reduced:	SN3O5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	455.28964
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	5.98
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[cyclopropylmethyl(1-phenylethyl)amino]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations