Geometry & MOs

Info

ID:	190769
PubChem CID:	78053757
Reduced:	ClNO5H16C18 (1)
Stoich.:	ABC5D16E18 (1)
Weight, g/mol:	505.333814
ΔH_f, kcal/mol:	-145.7
Dipole, Da:	3.69
IP(EA), eV:	-8.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[4-(2,3,3a,4,5,6,7,7a-octahydro-1,2-benzothiazol-3-yl)piperazin-1-yl]butoxy]-6-methyl-1,2,3,3a,4,6,7,8,9,9b-decahydrocyclopenta[c]chromen-4-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)Cl)OC

DOS

IR

Vibrations