Geometry & MOs

Info

ID:	194187
PubChem CID:	78495811
Reduced:	BrSO2N3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	350.070116
ΔH_f, kcal/mol:	-14.79
Dipole, Da:	5.67
IP(EA), eV:	-9.25(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-3-(2,4-dichloroanilino)-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CSC2=NN=C(O2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations