Geometry & MOs

Info

ID:	177924
PubChem CID:	76252645
Reduced:	FIO3N4H18C19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	468.157974
ΔH_f, kcal/mol:	-93.38
Dipole, Da:	3.83
IP(EA), eV:	-9.76(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C=C(C=C3)F)I

DOS

IR

Vibrations