Geometry & MOs

Info

ID:	317315
PubChem CID:	126635583
Reduced:	ON2Cl3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	415.171834
ΔH_f, kcal/mol:	-4.43
Dipole, Da:	8.05
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,3-benzothiazol-5-yl)-4-phenyl-3-(pyrrolidin-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2C=C(C=CC2C3=CC=CC=C3)C(=O)NC4=CC(=C(C(=C4)Cl)Cl)Cl

DOS

IR

Vibrations