Geometry & MOs

Info

ID:	208546
PubChem CID:	80542191
Reduced:	ON3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	376.913021
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	4.25
IP(EA), eV:	-8.58(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine

Drug info:

PubChemData

Smile

CC(CCN)C(=O)N(C)C1CCN(CC1)C

DOS

IR

Vibrations