Geometry & MOs

Info

ID:	57948
PubChem CID:	24398010
Reduced:	ClO3N5C23H30 (1)
Stoich.:	AB3C5D23E30 (1)
Weight, g/mol:	479.193547
ΔH_f, kcal/mol:	-131.5
Dipole, Da:	1.93
IP(EA), eV:	-9.17(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(4-chloro-2-methylphenyl)-N'-(2-methoxyethyl)butanediamide

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=C(C=C(C=C3)Cl)C)CC(C)C

DOS

IR

Vibrations