Geometry & MOs

Info

ID:	62445
PubChem CID:	26719727
Reduced:	ClN2O4H17C23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	463.198632
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	6.04
IP(EA), eV:	-8.65(-1.94)
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-(3-chlorophenyl)-N'-(2-methylpropyl)butanediamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations