Geometry & MOs

Info

ID:	192821
PubChem CID:	78316079
Reduced:	SN3O6C23H29 (1)
Stoich.:	AB3C6D23E29 (1)
Weight, g/mol:	488.172956
ΔH_f, kcal/mol:	-214.67
Dipole, Da:	8.76
IP(EA), eV:	-9.55(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-2-[(4-oxo-6-propyl-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)N4CCC5(CC4)OCCO5

DOS

IR

Vibrations