Geometry & MOs

Info

ID:	438599
PubChem CID:	135228343
Reduced:	SCl2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	397.089472
ΔH_f, kcal/mol:	41.72
Dipole, Da:	3.72
IP(EA), eV:	-8.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]azocan-4-amine

Drug info:

PubChemData

Smile

C1CCN(CC[C@@H](C1)N)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations