Geometry & MOs

Info

ID:	225035
PubChem CID:	85735770
Reduced:	O2S2N5H13C16 (1)
Stoich.:	A2B2C5D13E16 (1)
Weight, g/mol:	430.328332
ΔH_f, kcal/mol:	49.48
Dipole, Da:	5.04
IP(EA), eV:	-9.04(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-octadecyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(S4)N

DOS

IR

Vibrations