Geometry & MOs

Info

ID:	359772
PubChem CID:	127299816
Reduced:	BrON4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	42.37
Dipole, Da:	3.65
IP(EA), eV:	-9.23(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=C(C=N2)Br)C(=O)CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations