Geometry & MOs

Info

ID:	56016
PubChem CID:	17403770
Reduced:	SN2O6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-215.27
Dipole, Da:	1.85
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CN2CSCC2=O)OC

DOS

IR

Vibrations