Geometry & MOs

Info

ID:	178605
PubChem CID:	76355448
Reduced:	SN4O5C18H24 (1)
Stoich.:	AB4C5D18E24 (1)
Weight, g/mol:	482.25292
ΔH_f, kcal/mol:	-157.91
Dipole, Da:	4.56
IP(EA), eV:	-9.09(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(benzylamino)-3-(2-methoxyethyl)-2,6-dioxo-1,3-diazinan-4-yl]-2-(4-tert-butylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)NS(=O)(=O)C2=C(ON=C2C)C

DOS

IR

Vibrations