Geometry & MOs

Info

ID:	346189
PubChem CID:	127270680
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-68.93
Dipole, Da:	5.14
IP(EA), eV:	-8.66(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)C(=O)N2CCC3=CC=CC(=C32)C

DOS

IR

Vibrations