Geometry & MOs

Info

ID:	225796
PubChem CID:	87226151
Reduced:	ClOSC2N4H5 (1)
Stoich.:	ABCD2E4F5 (1)
Weight, g/mol:	563.068462
ΔH_f, kcal/mol:	0.69
Dipole, Da:	6.21
IP(EA), eV:	-9.09(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,16-dimethoxy-20-[3-(1,3-thiazol-2-ylamino)propyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione;dihydrochloride

Drug info:

PubChemData

Smile

C(=S)(N)NN(C(=O)N)Cl

DOS

IR

Vibrations