Geometry & MOs

Info

ID:	327629
PubChem CID:	126690560
Reduced:	BrClSO3N5C24H25 (1)
Stoich.:	ABCD3E5F24G25 (1)
Weight, g/mol:	381.04504
ΔH_f, kcal/mol:	42.41
Dipole, Da:	5.33
IP(EA), eV:	-8.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(cyclopropylmethyl)-5-[2-(iodoamino)pyridin-4-yl]pyridine-2,3-diamine

Drug info:

PubChemData

Smile

CNC1=C(SC=C1C(=C)N/C(=C(/C(C#C)O)\O)/C(=C(\CBr)/OC)/Cl)CNC2=CC3=C(C=C2)C=NN3

DOS

IR

Vibrations