Geometry & MOs

Info

ID:	145465
PubChem CID:	53529730
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	30.53
Dipole, Da:	3.79
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations