Geometry & MOs

Info

ID:	165611
PubChem CID:	74575467
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	1.62
IP(EA), eV:	-9.05(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminophenyl)-4-(2,4-dioxo-1,3-diazinan-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CSC2NC(CC(=O)N2)N

DOS

IR

Vibrations