Geometry & MOs

Info

ID:	223585
PubChem CID:	85335277
Reduced:	FN2O3C26H39 (1)
Stoich.:	AB2C3D26E39 (1)
Weight, g/mol:	448.130218
ΔH_f, kcal/mol:	-155.64
Dipole, Da:	8.77
IP(EA), eV:	-9.08(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(3,5-dioxo-1,2,4-triazinan-2-yl)-N-(2,2-diphenylethyl)benzamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)NCC4CCCCO4)CCC5C3(C=C(C(=O)N5C)F)C

DOS

IR

Vibrations