Geometry & MOs

Info

ID:	176626
PubChem CID:	76075461
Reduced:	FS2N3O4C21H28 (1)
Stoich.:	AB2C3D4E21F28 (1)
Weight, g/mol:	399.159434
ΔH_f, kcal/mol:	-187.12
Dipole, Da:	4.77
IP(EA), eV:	-9.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohex-3-en-1-ylmethyl 2-cyano-5-(3,4-dimethyl-2,6-dioxo-1,3-diazinan-1-yl)-4-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CC(CC1=CC=NC=C1)CC(=O)C(CC2=CSC=N2)(CC(=O)N)F

DOS

IR

Vibrations