Geometry & MOs

Info

ID:	165749
PubChem CID:	74591413
Reduced:	SO3N4C21H32 (1)
Stoich.:	AB3C4D21E32 (1)
Weight, g/mol:	474.28422
ΔH_f, kcal/mol:	-134.96
Dipole, Da:	5.18
IP(EA), eV:	-8.63(-0.13)
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]-3-(3-methoxy-4-propoxyphenyl)-N-(2-methylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CC(C)C)C(=O)CCSC2=CC=CC=C2)N

DOS

IR

Vibrations