Geometry & MOs

Info

ID:	165781
PubChem CID:	74598333
Reduced:	ClN2O4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	473.220909
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	1.8
IP(EA), eV:	-9.32(-0.75)
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]-N-butyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)NCC1(CCC1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations