Geometry & MOs

Info

ID:	34222
PubChem CID:	7890373
Reduced:	ClN3O5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	384.200885
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	7.77
IP(EA), eV:	-9.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] butanoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3Cl

DOS

IR

Vibrations