Geometry & MOs

Info

ID:	181961
PubChem CID:	76821244
Reduced:	ClN4O5C24H29 (1)
Stoich.:	AB4C5D24E29 (1)
Weight, g/mol:	590.0711
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	4.9
IP(EA), eV:	-8.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichlorophenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2NC(=O)N(C(=O)N2CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)OC)OC

DOS

IR

Vibrations