Geometry & MOs

Info

ID:	61816
PubChem CID:	26713332
Reduced:	ON2S2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	485.144299
ΔH_f, kcal/mol:	0.67
Dipole, Da:	4.56
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)C

DOS

IR

Vibrations