Geometry & MOs

Info

ID:	360454
PubChem CID:	127301099
Reduced:	FON5C20H28 (1)
Stoich.:	ABC5D20E28 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-42.16
Dipole, Da:	3.12
IP(EA), eV:	-8.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]-1-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCN(C1)C2=C(C=C(C=C2)C#N)F)N3CCN(CC3)C

DOS

IR

Vibrations