Geometry & MOs

Info

ID:	188954
PubChem CID:	77793952
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	448.160992
ΔH_f, kcal/mol:	-60.11
Dipole, Da:	5.69
IP(EA), eV:	-8.92(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylbenzoyl)-5-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC2C(C(=O)N(C(=O)N2)CC3=CC=CC=N3)C(C)C)C

DOS

IR

Vibrations