Geometry & MOs

Info

ID:	223869
PubChem CID:	85335681
Reduced:	SN4O5C34H42 (1)
Stoich.:	AB4C5D34E42 (1)
Weight, g/mol:	619.203545
ΔH_f, kcal/mol:	-170.53
Dipole, Da:	8.85
IP(EA), eV:	-8.98(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,6-N-bis[1-(4-ethylsulfonylphenyl)ethylideneamino]-2-N-phenylpyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations