Geometry & MOs

Info

ID:	290105
PubChem CID:	104408605
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	353.01975
ΔH_f, kcal/mol:	-37.95
Dipole, Da:	2.74
IP(EA), eV:	-9.19(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-1,3-benzothiazol-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1[N+](=O)[O-])NC(C)C(=O)N2CCCCC2

DOS

IR

Vibrations