Geometry & MOs

Info

ID:	369533
PubChem CID:	127334314
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	6.4
IP(EA), eV:	-9.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]pentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)C3=NC=CC(=C3)N4C=CC=N4

DOS

IR

Vibrations