Geometry & MOs

Info

ID:	142030
PubChem CID:	52970221
Reduced:	SN3O4C14H17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	435.128649
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	3.6
IP(EA), eV:	-9.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5,6-dimethoxy-3-(2-methoxyethyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N=C2N(C3CC4C(CC3S2)OCO4)C

DOS

IR

Vibrations