Geometry & MOs

Info

ID:	177876
PubChem CID:	76248118
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	447.147345
ΔH_f, kcal/mol:	-54.34
Dipole, Da:	3.78
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-methylamino]-N-(4-chloro-2-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)NCC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations