Geometry & MOs

Info

ID:	170808
PubChem CID:	75282429
Reduced:	Cl2N3O3C13H13 (1)
Stoich.:	A2B3C3D13E13 (1)
Weight, g/mol:	570.172619
ΔH_f, kcal/mol:	-121.33
Dipole, Da:	6.0
IP(EA), eV:	-10.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[[4-[(3-hydroxyphenyl)methylcarbamoyl]-2-(trifluoromethoxy)phenyl]methyl]-2,6-dioxo-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)CC(NC1=O)C(=O)NCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations