Geometry & MOs

Info

ID:

329111

PubChem CID:

126731282

Reduced:

N42C43H82 (1)

Stoich.:

A42B43C82 (1)

Weight, g/mol:

410.178333

ΔHf, kcal/mol:

254.87

Dipole, Da:

7.11

IP(EA), eV:

 -9.15(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[3-[4-(2-aminoethylamino)-6-ethylsulfanyl-1,3,5-triazin-2-yl]propyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)NCCNC2=NC(=NC(=N2)NCCN)NCCNC3=NC(=NC(=N3)NCCN)NCCNC4=NC(=NC(=N4)NCCNC5=NC(=NC(=N5)NCCNC6=NC(=NC(=N6)NCCN)N)NCCN)NCCN)NCCN

DOS

IR

Vibrations