Geometry & MOs

Info

ID:	165772
PubChem CID:	74596732
Reduced:	S2O3N5C21H29 (1)
Stoich.:	A2B3C5D21E29 (1)
Weight, g/mol:	412.167747
ΔH_f, kcal/mol:	-85.67
Dipole, Da:	7.74
IP(EA), eV:	-9.36(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-4-chloro-2-fluoro-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CSC(=N2)C3=CSC=C3)N

DOS

IR

Vibrations