Geometry & MOs

Info

ID:	178892
PubChem CID:	76397324
Reduced:	SN3O3H9C12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	315.119461
ΔH_f, kcal/mol:	-22.54
Dipole, Da:	4.59
IP(EA), eV:	-9.17(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-3-methylphenyl)methyl]-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)C2=C3C(=O)N=C(S3)NO

DOS

IR

Vibrations