Geometry & MOs

Info

ID:	43793
PubChem CID:	10321799
Reduced:	SO3N5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	455.133734
ΔH_f, kcal/mol:	-69.23
Dipole, Da:	3.53
IP(EA), eV:	-8.38(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-3-cyclopentyl-2-(6-cyclopropylsulfonylpyridin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC=C(C=C4)SC

DOS

IR

Vibrations