Geometry & MOs

Info

ID:	60984
PubChem CID:	26703933
Reduced:	N2O3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	467.216869
ΔH_f, kcal/mol:	-181.27
Dipole, Da:	5.3
IP(EA), eV:	-9.03(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)/C=C/C3=CC(=CC(=C3)OC)OC)N

DOS

IR

Vibrations