Geometry & MOs

Info

ID:	54510
PubChem CID:	17388795
Reduced:	N4O6C15H26 (1)
Stoich.:	A4B6C15D26 (1)
Weight, g/mol:	388.150387
ΔH_f, kcal/mol:	-332.24
Dipole, Da:	5.78
IP(EA), eV:	-9.9(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzothiazol-2-ylsulfanyl)-2-N,4-N-ditert-butyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(CC2(CC(NC(=O)N2)(C)C)NC(=O)N1)C.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations