Geometry & MOs

Info

ID:	441231
PubChem CID:	135233735
Reduced:	S2O4N5C27H37 (1)
Stoich.:	A2B4C5D27E37 (1)
Weight, g/mol:	501.259603
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	5.12
IP(EA), eV:	-8.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2,2-dimethylpropyl)-2-N-methyl-6-[1-(4-morpholin-4-ylsulfanylphenyl)sulfanylpiperidin-3-yl]pyridine-2,3-diamine

Drug info:

PubChemData

Smile

CC(C)(C)CN1C2=C(N=C(C=C2)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)SN5CCOCC5)N(C1=O)C

DOS

IR

Vibrations