Geometry & MOs

Info

ID:	37942
PubChem CID:	8025718
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	408.148078
ΔH_f, kcal/mol:	-119.01
Dipole, Da:	4.64
IP(EA), eV:	-8.62(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC3=NC4=C(C5=C(S4)CCC5)C(=O)N3

DOS

IR

Vibrations