Geometry & MOs

Info

ID:	32104
PubChem CID:	4266070
Reduced:	ClN3O7H20C32 (1)
Stoich.:	AB3C7D20E32 (1)
Weight, g/mol:	475.093498
ΔH_f, kcal/mol:	-68.23
Dipole, Da:	6.24
IP(EA), eV:	-9.36(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-4-[(2,4,6-trioxo-1,3-diphenyl-1,3-diazinan-5-ylidene)methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OCC5=CC=C(C=C5)OC6=C(C=CC=C6Cl)[N+](=O)[O-]

DOS

IR

Vibrations