Geometry & MOs

Info

ID:	181950
PubChem CID:	76819547
Reduced:	ClOSN3C28H38 (1)
Stoich.:	ABCD3E28F38 (1)
Weight, g/mol:	497.226762
ΔH_f, kcal/mol:	-15.89
Dipole, Da:	11.64
IP(EA), eV:	-7.27(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorospiro[5,6-dihydro-4H-1,3-benzothiazole-7,4'-pyrrolidine]-3'-yl)-(2-cyclohexyl-4-phenylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CC(CCN2C(=O)C3C[NH2+]CC34CCCC5=C4SC(=[NH+]5)Cl)C6=CC=CC=C6

DOS

IR

Vibrations