Geometry & MOs

Info

ID:	49297
PubChem CID:	11532700
Reduced:	ClO2N3H26C27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	460.173311
ΔH_f, kcal/mol:	-13.77
Dipole, Da:	11.7
IP(EA), eV:	-8.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-[2-[methyl-(1-methylpyrrolidin-3-yl)amino]-1,3-benzothiazol-6-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC(=C(C=C2)C(=O)N3CC(=O)N(CC4=CC=CC=C43)CC5=CC=CC=C5)Cl

DOS

IR

Vibrations